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2-methyl-4-(D-arabino-tetrahydroxybutyl)thiopyrrole-3-carboxylic acid, S-ethyl ester
SpectraBase Compound ID L29dsc9GGGX
InChI InChI=1S/C12H19NO5S/c1-3-19-12(18)9-6(2)13-4-7(9)10(16)11(17)8(15)5-14/h4,8,10-11,13-17H,3,5H2,1-2H3/t8-,10-,11-/m1/s1
InChIKey FFDPTERGBPJERE-FBIMIBRVSA-N
Mol Weight 289.35 g/mol
Molecular Formula C12H19NO5S
Exact Mass 289.098394 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 6DYvtXWobyi
Name 2-METHYL-4-(D-arabino-TETRAHYDROXYBUTYL)THIOPYRROLE-3-CARBOXYLIC ACID, S-ETHYL ESTER
Source of Sample A. Gomez Sanchez, University of Seville, Seville, Spain
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO5S
InChI InChI=1S/C12H19NO5S/c1-3-19-12(18)9-6(2)13-4-7(9)10(16)11(17)8(15)5-14/h4,8,10-11,13-17H,3,5H2,1-2H3/t8-,10-,11-/m1/s1
InChIKey FFDPTERGBPJERE-FBIMIBRVSA-N
Literature Reference Abstract-Chemical Abstracts= 62, 11889(1965)
Melting Point 118-120C
Molecular Weight 289.346008
Optical Properties Optical Rotation= (25C) -49 DEG (c=0.57, ETHANOL)
Synonyms 3-PYRROLECARBOXYLIC ACID, 2-METHYL- 4-/D-ARABINO-TETRAHYDROXYBUTYL/THIO-, S-ETHYL ESTER 3-PYRROLECARBOTHIOIC ACID, 2-METHYL- 4-/D-ARABINO-TETRAHYDROXYBUTYL/-, S- ETHYL ESTER
Technique KBr WAFER