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Back ChemicalBook Home>CAS DataBase List>61826-55-9More Spectrum> PINONIC ACID(61826-55-9) MS

61826-55-9

PINONIC ACID(61826-55-9) MS

Product NamePINONIC ACID

CAS61826-55-9

Molecular FormulaC10H16O3

Molecular Weight184.23

InChIInChI=1/C10H16O3/c1-6(11)8-4-7(5-9(12)13)10(8,2)3/h7-8H,4-5H2,1-3H3,(H,12,13)/t7-,8+/s3

InChIKey SIZDUQQDBXJXLQ-WWXSATIUNA-N

Smiles[C@H]1(CC(O)=O)C[C@@H](C(C)=O)C1(C)C |&1:0,6,r|

  • PINONIC ACID(61826-55-9) MS
    Mass

    MS-IW-6204          
    cis-(3-acetyl-2,2-dimethylcyclobutyl)acetic acid
    C10H16O3            (Mass of molecular ion:    184)
    

       Source Temperature: 200 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.9
          18.0       1.2
          27.0       7.8
          28.0       1.9
          29.0       5.2
          39.0       9.1
          40.0       1.7
          41.0      27.2
          42.0       3.1
          43.0      63.1
          44.0       1.7
          45.0       2.4
          51.0       1.5
          53.0       6.7
          54.0       1.7
          55.0      26.1
          56.0       6.3
          57.0       2.1
          58.0       2.4
          59.0       6.3
          65.0       1.3
          67.0       6.8
          68.0      21.8
          69.0      82.8
          70.0       7.5
          71.0      77.0
          72.0       8.3
          73.0       1.3
          77.0       2.0
          79.0       3.6
          80.0       1.9
          81.0      14.5
          82.0       4.0
          83.0     100.0
          84.0       6.6
          85.0       2.4
          86.0       1.7
          91.0       1.2
          93.0       1.1
          95.0      10.6
          96.0      21.5
          97.0       3.7
          98.0      52.4
          99.0       7.6
         105.0       1.7
         106.0       2.3
         107.0       7.3
         108.0       2.3
         109.0      11.0
         110.0       1.1
         111.0       1.9
         113.0       1.5
         114.0      26.0
         115.0       2.7
         120.0       1.2
         121.0       2.6
         122.0       1.2
         123.0      10.5
         124.0      12.3
         125.0      26.5
         126.0       3.1
         127.0       3.3
         138.0       2.5
         141.0       1.6
         151.0       2.5
         166.0      12.4
         167.0       2.7
         169.0       5.4
         184.0       3.2
    

400 MHz in CDCl3

  • PINONIC ACID(61826-55-9) MS

    1H NMR 399.65 MHz
    C10 H16 O3 0.030 g : 0.5 ml CDCl3
    cis-(3-acetyl-2,2-dimethylcyclobutyl)acetic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11. B 2.894 C 2.38 D 2.32 E 2.055 F 1.99 G 1.96 J *1 1.333 K *1 0.878

         Hz     ppm     Int.
    

       1165.67   2.917     69
       1158.16   2.898     84
       1155.78   2.892     80
       1148.09   2.873     76
        960.16   2.403     38
        956.68   2.394     54
        954.66   2.389     79
        952.65   2.384     48
        950.82   2.380     50
        949.54   2.376     61
        947.70   2.372     56
        944.04   2.363    143
        942.03   2.358     91
        939.64   2.352     60
        937.08   2.345     81
        931.58   2.331    103
        926.27   2.318     31
        921.51   2.306     77
        914.18   2.288     54
        821.32   2.056   1000
        807.40   2.021     51
        805.75   2.017     65
        796.04   1.992     91
        789.63   1.976     56
        786.15   1.968     64
        781.94   1.957     88
        778.27   1.948     37
        774.24   1.938     50
        770.40   1.928     44
        533.20   1.335    844
        351.13   0.879    752
    

in CDCl3

  • PINONIC ACID(61826-55-9) MS

  • PINONIC ACID(61826-55-9) MS

  • PINONIC ACID(61826-55-9) MS

PINONIC ACID(61826-55-9) MS Atlas of Related Products

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