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L-3-(benzylthio)-N-carboxyalanine, N-tert-butyl ester
SpectraBase Compound ID 7jCsqGxWDIb
InChI InChI=1S/C15H21NO4S/c1-15(2,3)20-14(19)16-12(13(17)18)10-21-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)
InChIKey IFVORPLRHYROAA-UHFFFAOYSA-N
Mol Weight 311.4 g/mol
Molecular Formula C15H21NO4S
Exact Mass 311.119129 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID HDUuBm84y9r
Name L-3-(BENZYLTHIO)-N-CARBOXYALANINE, N-tert-BUTYL ESTER
Source of Sample Fluka Chemie AG, Buchs, Switzerland
Catalog Number 15383
CAS Registry Number 5068-28-0
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21NO4S
InChI InChI=1S/C15H21NO4S/c1-15(2,3)20-14(19)16-12(13(17)18)10-21-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)
InChIKey IFVORPLRHYROAA-UHFFFAOYSA-N
Melting Point 86-88C
Molecular Weight 311.395996
Optical Properties Optical Rotation= (20C) -52 +/- 1 DEG (c=1, ACETIC ACID)
Synonyms ALANINE, 3-/BENZYLTHIO/-N-CARBOXY-, N-TERT-BUTYL ESTER, L-,
Technique KBr WAFER