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L-Alanine benzyl ester p-toluenesulfonate

View entire compound with spectra: 2 NMR, and 2 FTIR

L-Alanine benzyl ester p-toluenesulfonate
SpectraBase Compound ID 7OTXbBoD224
InChI InChI=1S/C10H13NO2.C7H8O3S/c1-8(11)10(12)13-7-9-5-3-2-4-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,8H,7,11H2,1H3;2-5H,1H3,(H,8,9,10)
InChIKey NWOPHJSSBMABBD-UHFFFAOYSA-N
Mol Weight 351.42 g/mol
Molecular Formula C17H21NO5S
Exact Mass 351.114044 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID LE1EdBBa0p8
Name L-ALANINE, BENZYL ESTER, p-TOLUENESULFONATE
Source of Sample Fluka Chemie AG, Buchs, Switzerland
Catalog Number 05183
CAS Registry Number 42854-62-6
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO5S
InChI InChI=1S/C10H13NO2.C7H8O3S/c1-8(11)10(12)13-7-9-5-3-2-4-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,8H,7,11H2,1H3;2-5H,1H3,(H,8,9,10)
InChIKey NWOPHJSSBMABBD-UHFFFAOYSA-N
Melting Point 114-116C
Molecular Weight 351.416992
Synonyms ALANINE, BENZYL ESTER, P-TOLUENE- SULFONATE, L-,
Technique KBr WAFER