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(2R,4R)-2-(phenylcarbonyl)-3-(2-prop-2-ynoxyethanoyl)-1,3-thiazolidine-4-carboxylic acid
SpectraBase Compound ID 1mrnQTr4aYH
InChI InChI=1S/C16H15NO5S/c1-2-8-22-9-13(18)17-12(16(20)21)10-23-15(17)14(19)11-6-4-3-5-7-11/h1,3-7,12,15H,8-10H2,(H,20,21)/t12-,15+/m0/s1
InChIKey HSOPQIBGAHFVJI-SWLSCSKDSA-N
Mol Weight 333.36 g/mol
Molecular Formula C16H15NO5S
Exact Mass 333.067094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BtFrWEEtp3
Name (2R,4R)-2-(phenylcarbonyl)-3-(2-prop-2-ynoxyethanoyl)-1,3-thiazolidine-4-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15NO5S
InChI InChI=1S/C16H15NO5S/c1-2-8-22-9-13(18)17-12(16(20)21)10-23-15(17)14(19)11-6-4-3-5-7-11/h1,3-7,12,15H,8-10H2,(H,20,21)/t12-,15+/m0/s1
InChIKey HSOPQIBGAHFVJI-SWLSCSKDSA-N
Molecular Weight 333.358 g/mol
SMILES OC([C@]1(N([C@](SC1)(C(c1ccccc1)=O)[H])C(=O)COCC#C)[H])=O
SPLASH splash10-05r0-9420000000-158f83daadc6db6841a7
Source of Spectrum J-67-4052-25
Synonyms (2R,4R)-2-benzoyl-3-(1-oxo-2-prop-2-ynoxyethyl)-4-thiazolidinecarboxylic acid (2R,4R)-2-benzoyl-3-(2-prop-2-ynoxyacetyl)-1,3-thiazolidine-4-carboxylic acid (2R,4R)-2-benzoyl-3-(2-prop-2-ynoxyacetyl)thiazolidine-4-carboxylic acid (2R,4R)-2-benzoyl-3-(2-propargyloxyacetyl)thiazolidine-4-carboxylic acid
Wiley ID 1570044