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Back ChemicalBook Home>CAS DataBase List>17114-97-5More Spectrum> O-tert-Butyl-L-serine methyl ester hydrochloride(17114-97-5) MS

17114-97-5

O-tert-Butyl-L-serine methyl ester hydrochloride(17114-97-5) MS

Molecular FormulaC8H18ClNO3

Molecular Weight211.69

InChIInChI=1/C8H17NO3.ClH/c1-8(2,3)12-5-6(9)7(10)11-4;/h6H,5,9H2,1-4H3;1H/t6-;/s3

InChIKey PCIABNBULSRKSU-UZHXKHNSNA-N

SmilesC(C)(C)(C)OC[C@H](N)C(=O)OC.Cl |&1:6,r|

  • O-tert-Butyl-L-serine methyl ester hydrochloride(17114-97-5) MS
    Mass

    MS-KW-0542          
    O-tert-butyl-L-serine methyl ester hydrochloride
    C8H17NO3 HCl        (Mass of molecular ion:    175)
    

       Source Temperature: 140 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          15.0       4.6
          18.0       2.7
          27.0       1.9
          28.0       4.8
          29.0      10.3
          30.0       2.5
          31.0       1.3
          33.0       2.8
          35.0       1.8
          36.0      15.8
          38.0       5.3
          39.0       2.4
          41.0      15.3
          42.0      12.0
          43.0       8.3
          50.5       1.9
          55.0       1.3
          56.0       1.9
          57.0      56.7
          58.0       3.4
          59.0       4.2
          60.0      39.1
          61.0       1.1
          70.0       7.1
          74.0      21.7
          88.0      11.2
          89.0     100.0
          90.0       3.8
         102.0      21.4
         103.0       1.2
         116.0       8.9
         119.0       2.2
         145.0       1.6
         160.0       2.0
    

400 MHz in CDCl3

  • O-tert-Butyl-L-serine methyl ester hydrochloride(17114-97-5) MS

    1H NMR 399.65 MHz
    C8H18ClNO3 0.037 g : 0.5 ml CDCl3
    O-tert-butyl-L-serine methyl ester hydrochloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.74 B 4.374 C *1 4.002 D *1 3.885 E 3.822 F 1.206

         Hz     ppm     Int.
    

       3495.24   8.743     27
       1751.84   4.382     28
       1748.42   4.374     51
       1745.12   4.366     28
       1606.94   4.020     25
       1603.89   4.012     26
       1597.05   3.995     36
       1594.12   3.988     32
       1558.96   3.900     35
       1555.18   3.891     36
       1549.20   3.876     28
       1545.42   3.866     26
       1536.50   3.844     11
       1527.96   3.822    426
        482.06   1.206   1000
    

in CDCl3

  • O-tert-Butyl-L-serine methyl ester hydrochloride(17114-97-5) MS

KBr disk

  • O-tert-Butyl-L-serine methyl ester hydrochloride(17114-97-5) MS

Nujol

  • O-tert-Butyl-L-serine methyl ester hydrochloride(17114-97-5) MS

O-tert-Butyl-L-serine methyl ester hydrochloride(17114-97-5) MS Atlas of Related Products

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