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Back ChemicalBook Home>CAS DataBase List>2861-28-1More Spectrum> 3,4-(METHYLENEDIOXY)PHENYLACETIC ACID(2861-28-1) 1H NMR

2861-28-1

3,4-(METHYLENEDIOXY)PHENYLACETIC ACID(2861-28-1) 1H NMR

Molecular FormulaC9H8O4

Molecular Weight180.16

InChIInChI=1S/C9H8O4/c10-9(11)4-6-1-2-7-8(3-6)13-5-12-7/h1-3H,4-5H2,(H,10,11)

InChIKey ODVLMCWNGKLROU-UHFFFAOYSA-N

SmilesO1C2=CC=C(CC(O)=O)C=C2OC1

  • 3,4-(METHYLENEDIOXY)PHENYLACETIC ACID(2861-28-1) <sup>1</sup>H NMR
    Mass

    MS-IW-2681          
    (1,3-benzodioxol-5-yl)acetic acid
    C9H8O4              (Mass of molecular ion:    180)
    

       Source Temperature: 210 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          18.0       4.1
          27.0       1.1
          38.0       1.4
          39.0       3.0
          44.0       1.0
          45.0       1.2
          50.0       4.2
          51.0      13.9
          52.0       1.6
          53.0       1.9
          63.0       1.4
          65.0       1.7
          67.0       3.2
          74.0       1.1
          75.0       1.2
          76.0       1.9
          77.0      20.1
          78.0       2.9
          79.0       3.7
         105.0       7.9
         106.0       1.3
         134.0       1.0
         135.0     100.0
         136.0       9.0
         179.0       1.5
         180.0      38.1
         181.0       3.9
    

400 MHz in CDCl3

  • 3,4-(METHYLENEDIOXY)PHENYLACETIC ACID(2861-28-1) <sup>1</sup>H NMR

    1H NMR 399.65 MHz
    C9 H8 O4 0.040 g : 0.5 ml CDCl3
    (1,3-benzodioxol-5-yl)acetic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11. B 6.771 C 6.759 D 6.712 E 5.938 F 3.552

         Hz     ppm     Int.
    

       2707.38   6.775    187
       2705.55   6.770    288
       2697.31   6.750    285
       2685.95   6.721    142
       2684.30   6.717    125
       2678.08   6.702     63
       2676.43   6.697     59
       2373.11   5.938   1000
       1419.54   3.552    409
    

in CDCl3

  • 3,4-(METHYLENEDIOXY)PHENYLACETIC ACID(2861-28-1) <sup>1</sup>H NMR

KBr disc

  • 3,4-(METHYLENEDIOXY)PHENYLACETIC ACID(2861-28-1) <sup>1</sup>H NMR

nujol mull

  • 3,4-(METHYLENEDIOXY)PHENYLACETIC ACID(2861-28-1) <sup>1</sup>H NMR

  • 3,4-(METHYLENEDIOXY)PHENYLACETIC ACID(2861-28-1) <sup>1</sup>H NMR

3,4-(METHYLENEDIOXY)PHENYLACETIC ACID(2861-28-1) 1H NMR Atlas of Related Products

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