52031-05-7

DL-4-Chlorophenylalanine ethyl ester hydrochloride(52031-05-7) ¹H NMR

Product NameDL-4-Chlorophenylalanine ethyl ester hydrochloride

CAS 52031-05-7

Molecular FormulaC11H15Cl2NO2

Molecular Weight264.15

InChIInChI=1S/C11H14ClNO2.ClH/c1-2-15-11(14)10(13)7-8-3-5-9(12)6-4-8;/h3-6,10H,2,7,13H2,1H3;1H

InChIKey FDQIKGOQYNZYOO-UHFFFAOYSA-N

SmilesC1(=CC=C(Cl)C=C1)CC(N)C(=O)OCC.Cl

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DL-4-Chlorophenylalanine ethyl ester hydrochloride(52031-05-7) <sup>1</sup>H NMR
Mass

MS-NW-7428          
4-chloro-DL-phenylalanine ethyl ester hydrochloride
C11H14ClNO2 HCl     (Mass of molecular ion:    227)

   Source Temperature: 150 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      18.0       2.4
      27.0       2.4
      28.0      11.9
      29.0       6.3
      30.0       1.3
      35.0       2.0
      36.0      12.9
      38.0       4.4
      39.0       2.5
      42.0       3.2
      43.0       3.1
      46.0       5.7
      47.0       1.5
      50.0       1.5
      51.0       2.0
      58.5       3.3
      59.0       1.6
      59.5       4.2
      63.0       3.1
      65.0       2.3
      74.0      38.5
      75.0       2.8
      77.0       3.3
      78.0       1.0
      89.0       5.1
      90.0       2.3
      91.0       8.9
      92.0       1.2
      99.0       1.6
     101.0       2.0
     102.0     100.0
     103.0       5.4
     104.0       1.0
     117.0       2.4
     118.0       6.6
     119.0      12.3
     120.0       1.1
     125.0       7.1
     126.0       1.7
     127.0       2.5
     153.0       2.1
     154.0      40.5
     155.0       4.4
     156.0      13.6
     157.0       1.3
     227.0       1.4