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4-Thiazoleacetic acid, 2,3-dihydro-3-(2-oxo-2-phenylethyl)-2-[(trifluoroacetyl)imino]-, ethyl ester
SpectraBase Compound ID Jg3b9v9j4c3
InChI InChI=1S/C17H15F3N2O4S/c1-2-26-14(24)8-12-10-27-16(21-15(25)17(18,19)20)22(12)9-13(23)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3/b21-16-
InChIKey IOMJUVOWUXEOHG-PGMHBOJBSA-N
Mol Weight 400.37 g/mol
Molecular Formula C17H15F3N2O4S
Exact Mass 400.070463 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KzAezXQV1ZD
Name 4-Thiazoleacetic acid, 2,3-dihydro-3-(2-oxo-2-phenylethyl)-2-[(trifluoroacetyl)imino]-, ethyl ester
CAS Registry Number 121953-15-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15F3N2O4S
InChI InChI=1S/C17H15F3N2O4S/c1-2-26-14(24)8-12-10-27-16(21-15(25)17(18,19)20)22(12)9-13(23)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3/b21-16-
InChIKey IOMJUVOWUXEOHG-PGMHBOJBSA-N
Molecular Weight 400.372 g/mol
SMILES C=1(N(\C(SC1)=N\C(C(F)(F)F)=O)CC(=O)c1ccccc1)CC(=O)OCC
SPLASH splash10-0pc0-0906600000-4700b043e9ae3dc23ce3
Source of Spectrum KC-1989-646-5
Synonyms 4-Ethoxycarbonylmethyl-3-phenacyl-2-trifluorO-acetylimino-2,3-dihydrothiazole Ethyl ((2Z)-3-(2-oxo-2-phenylethyl)-2-{[(Z)-2,2,2-trifluoroethanoyl]imino}-2,3-dihydro-1,3-thiazol-4-yl)acetate
Wiley ID 1369228