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4-Isothiazolecarboxylic acid, 3-(1-methylethyl)-5-[[[3-(trifluoromethyl)phenyl]amino]carbonyl]-, methyl ester

View entire compound with spectra: 1 FTIR

4-Isothiazolecarboxylic acid, 3-(1-methylethyl)-5-[[[3-(trifluoromethyl)phenyl]amino]carbonyl]-, methyl ester
SpectraBase Compound ID 8U5Ed7Ocatn
InChI InChI=1S/C16H15F3N2O3S/c1-8(2)12-11(15(23)24-3)13(25-21-12)14(22)20-10-6-4-5-9(7-10)16(17,18)19/h4-8H,1-3H3,(H,20,22)
InChIKey OZWMSIWKFOWSLT-UHFFFAOYSA-N
Mol Weight 372.36 g/mol
Molecular Formula C16H15F3N2O3S
Exact Mass 372.075548 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID EfX8BKDeesv
Name 4-Isothiazolecarboxylic acid, 3-(1-methylethyl)-5-[[[3-(trifluoromethyl)phenyl]amino]carbonyl]-, methyl ester
CAS Registry Number 126242-89-5
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H15F3N2O3S
InChI InChI=1S/C16H15F3N2O3S/c1-8(2)12-11(15(23)24-3)13(25-21-12)14(22)20-10-6-4-5-9(7-10)16(17,18)19/h4-8H,1-3H3,(H,20,22)
InChIKey OZWMSIWKFOWSLT-UHFFFAOYSA-N
Instrument Name Bruker IFS 85
Purity slightly contaminated
Technique KBr-Pellet