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N-[3-(Acetylthio)-(2S)-methylpropionyl]-L-proline hydrate
SpectraBase Compound ID BmRcn06lYfO
InChI InChI=1S/C11H17NO4S.O/c1-7(6-17-8(2)13)10(14)12-5-3-4-9(12)11(15)16;/h7,9H,3-6H2,1-2H3,(H,15,16);/t7-,9+;/m1./s1
InChIKey XQHDOJRCQJYCKP-JXLXBRSFSA-N
Mol Weight 275.32 g/mol
Molecular Formula C11H17NO5S
Exact Mass 275.082744 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID B5nBkCgQgAM
Name N-[3-(Acetylthio)-(2S)-methylpropionyl]-L-proline hydrate
Source of Sample Aldrich
Catalog Number 472247
CAS Registry Number 64838-55-7
Comments MW calculated on anhydrous base
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17NO4S*xH2O
InChI InChI=1S/C11H17NO4S.O/c1-7(6-17-8(2)13)10(14)12-5-3-4-9(12)11(15)16;/h7,9H,3-6H2,1-2H3,(H,15,16);/t7-,9+;/m1./s1
InChIKey XQHDOJRCQJYCKP-JXLXBRSFSA-N
Purity 97%
Synonyms 1-[(2S)-3-(acetylsulfanyl)-2-methylpropanoyl]-L-proline
Wiley ID SIAL_ATR-IR_020142