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3-(benzylthio)-N-carboxy-L-alanine, N-benzyl ester
SpectraBase Compound ID HWfo3XBixYg
InChI InChI=1S/C18H19NO4S/c20-17(21)16(13-24-12-15-9-5-2-6-10-15)19-18(22)23-11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,19,22)(H,20,21)
InChIKey ATPNWHGYKFXQNF-UHFFFAOYSA-N
Mol Weight 345.41 g/mol
Molecular Formula C18H19NO4S
Exact Mass 345.103479 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID ACT9YSj6dn9
Name L-3-(BENZYLTHIO)-N-CARBOXYALANINE, N-BENZYL ESTER
Source of Sample Fluka Chemie AG, Buchs, Switzerland
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO4S
InChI InChI=1S/C18H19NO4S/c20-17(21)16(13-24-12-15-9-5-2-6-10-15)19-18(22)23-11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,19,22)(H,20,21)
InChIKey ATPNWHGYKFXQNF-UHFFFAOYSA-N
Melting Point 97-98C
Molecular Weight 345.412994
Synonyms L-ALANINE, 3-/BENZYLTHIO/-N-CARBOXY-, N-BENZYL ESTER L-ALANINE, N-BENZYLOXYCARBONYL-3- /BENZYLTHIO/-,
Technique FILM (CAST FROM CHCl3)