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(2R,4R)-3-(2-but-3-ynoxy-1-oxoethyl)-2-phenyl-4-thiazolidinecarboxylic acid
SpectraBase Compound ID KRo4JYyZuq3
InChI InChI=1S/C16H17NO4S/c1-2-3-9-21-10-14(18)17-13(16(19)20)11-22-15(17)12-7-5-4-6-8-12/h1,4-8,13,15H,3,9-11H2,(H,19,20)/t13-,15+/m0/s1
InChIKey GGJOINLUESAWHH-DZGCQCFKSA-N
Mol Weight 319.38 g/mol
Molecular Formula C16H17NO4S
Exact Mass 319.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LGHNgUfYH6h
Name (2R,4R)-3-(2-but-3-ynoxy-1-oxoethyl)-2-phenyl-4-thiazolidinecarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO4S
InChI InChI=1S/C16H17NO4S/c1-2-3-9-21-10-14(18)17-13(16(19)20)11-22-15(17)12-7-5-4-6-8-12/h1,4-8,13,15H,3,9-11H2,(H,19,20)/t13-,15+/m0/s1
InChIKey GGJOINLUESAWHH-DZGCQCFKSA-N
Molecular Weight 319.375 g/mol
SMILES OC([C@]1(N([C@](SC1)(c1ccccc1)[H])C(=O)COCCC#C)[H])=O
SPLASH splash10-0udi-9000000000-ca45c2a593166d158ac7
Source of Spectrum J-67-4052-6
Synonyms (2R,4R)-3-(2-but-3-ynoxyacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid (2R,4R)-3-(2-but-3-ynoxyacetyl)-2-phenyl-thiazolidine-4-carboxylic acid (2R,4R)-3-(2-but-3-ynoxyethanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
Wiley ID 1570049