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4-isothiazolecarboxylic acid, 3,5-bis(methylthio)-, 2,2,2-trifluoroethyl ester
SpectraBase Compound ID HwzPW3hmb6m
InChI InChI=1S/C8H8F3NO2S3/c1-15-5-4(7(16-2)17-12-5)6(13)14-3-8(9,10)11/h3H2,1-2H3
InChIKey ZZPYXHXXYFHVSC-UHFFFAOYSA-N
Mol Weight 303.33 g/mol
Molecular Formula C8H8F3NO2S3
Exact Mass 302.966927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jrQSutSDY
Name 2,2,2-trifluoroethyl 3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8F3NO2S3
InChI InChI=1S/C8H8F3NO2S3/c1-15-5-4(7(16-2)17-12-5)6(13)14-3-8(9,10)11/h3H2,1-2H3
InChIKey ZZPYXHXXYFHVSC-UHFFFAOYSA-N
Molecular Weight 303.332 g/mol
SMILES c1(c(snc1SC)SC)C(OCC(F)(F)F)=O
SPLASH splash10-0ued-9310000000-bbfd7742cc109465859a
Synonyms 2,2,2-trifluoroethyl 3,5-bis(methylsulfanyl)isothiazole-4-carboxylate 2,2,2-tris(fluoranyl)ethyl 3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxylate 3,5-bis(methylthio)-4-isothiazolecarboxylic acid 2,2,2-trifluoroethyl ester 3,5-bis(methylthio)isothiazole-4-carboxylic acid 2,2,2-trifluoroethyl ester
Wiley ID 1452490