BETA-(2-THIENYL)-DL-ALANINE(2021-58-1) ¹H NMR

Product NameBETA-(2-THIENYL)-DL-ALANINE

CAS 2021-58-1

Molecular FormulaC7H9NO2S

Molecular Weight171.22

InChIInChI=1S/C7H9NO2S/c8-6(7(9)10)4-5-2-1-3-11-5/h1-3,6H,4,8H2,(H,9,10)

InChIKey WTOFYLAWDLQMBZ-UHFFFAOYSA-N

SmilesC1(SC=CC=1)CC(N)C(=O)O

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Mass

MS-NW-7139          
3-(2-thienyl)-DL-alanine
C7H9NO2S            (Mass of molecular ion:    171)

   Source Temperature: 210 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      17.0       2.1
      18.0       9.1
      27.0       2.6
      28.0      16.5
      29.0       1.5
      30.0       1.8
      38.0       1.7
      39.0       6.5
      41.0       1.5
      42.0       2.2
      43.0       3.1
      44.0       1.4
      45.0      12.9
      46.0       4.8
      47.0       1.2
      50.0       1.4
      51.0       2.2
      52.0       1.0
      53.0       8.6
      54.0       1.0
      57.0       1.2
      58.0       2.5
      59.0       1.0
      62.5       1.8
      63.0       4.0
      65.0       5.4
      66.0       1.3
      69.0       2.8
      70.0       1.1
      71.0       1.6
      74.0      30.4
      75.0       1.2
      80.0       2.0
      84.0       1.3
      93.0       2.6
      97.0     100.0
      98.0      36.8
      99.0      10.4
     100.0       2.0
     108.0       1.0
     109.0       1.4
     110.0       1.6
     124.0       1.1
     125.0       2.9
     126.0       6.0
     135.0       1.2
     154.0       1.0
     171.0       7.5