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4-Thiazolidinecarboxylic acid, 2-[2,5-dihydro-5-oxo-2-(phenylmethylene)-4-oxazolyl]-5,5-dimethyl-, (2R-trans)-
SpectraBase Compound ID 3FVFJppEXgJ
InChI InChI=1S/C16H16N2O4S/c1-16(2)12(14(19)20)18-13(23-16)11-15(21)22-10(17-11)8-9-6-4-3-5-7-9/h3-8,12-13,18H,1-2H3,(H,19,20)/b10-8-
InChIKey NHGGKPRMVHCBSV-NTMALXAHSA-N
Mol Weight 332.37 g/mol
Molecular Formula C16H16N2O4S
Exact Mass 332.083078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GaMpQTjvvno
Name 4-Thiazolidinecarboxylic acid, 2-[2,5-dihydro-5-oxo-2-(phenylmethylene)-4-oxazolyl]-5,5-dimethyl-, (2R-trans)-
Alternate Name(s) 2-(5-oxo-2-(phenylmethylene)-2H-oxazol-4-yl)-5,5-dimethyl-4-thiazolidinecarboxylic acid 2-[(2Z)-2-benzylidene-5-oxo-2,5-dihydro-1,3-oxazol-4-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CAS Registry Number 102921-27-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2O4S
InChI InChI=1S/C16H16N2O4S/c1-16(2)12(14(19)20)18-13(23-16)11-15(21)22-10(17-11)8-9-6-4-3-5-7-9/h3-8,12-13,18H,1-2H3,(H,19,20)/b10-8-
InChIKey NHGGKPRMVHCBSV-NTMALXAHSA-N
Molecular Weight 332.374 g/mol
SMILES N1C(C(=O)O)C(SC1C1=N\C(=C\c2ccccc2)OC1=O)(C)C
SPLASH splash10-0019-0696000000-17303dfb9550813a0b74
Source of Spectrum J-51-3233-0
Wiley ID 1329160