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4-Isothiazolecarboxylic acid, 3,5-bis(methylthio)-, 1-methylethyl ester
SpectraBase Compound ID 9MOzYN3kcM0
InChI InChI=1S/C9H13NO2S3/c1-5(2)12-8(11)6-7(13-3)10-15-9(6)14-4/h5H,1-4H3
InChIKey YJFNYALUVRVPMN-UHFFFAOYSA-N
Mol Weight 263.39 g/mol
Molecular Formula C9H13NO2S3
Exact Mass 263.010842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1fM2lsPVZeU
Name 4-Isothiazolecarboxylic acid, 3,5-bis(methylthio)-, 1-methylethyl ester
CAS Registry Number 37572-39-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13NO2S3
InChI InChI=1S/C9H13NO2S3/c1-5(2)12-8(11)6-7(13-3)10-15-9(6)14-4/h5H,1-4H3
InChIKey YJFNYALUVRVPMN-UHFFFAOYSA-N
Molecular Weight 263.388 g/mol
SMILES CC(C)OC(c1c(nsc1SC)SC)=O
SPLASH splash10-0ik9-3490000000-64cdd3660fd34ea0f2b0
Source of Spectrum O-7-476-4
Synonyms Isopropyl 3,5-bis(methylsulfanyl)-4-isothiazolecarboxylate 3,5-bis(methylthio)-4-isothiazolecarboxylic acid propan-2-yl ester 3,5-bis(methylthio)isothiazole-4-carboxylic acid isopropyl ester isopropyl 3,5-bis(methylsulfanyl)isothiazole-4-carboxylate Propan-2-yl 3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxylate
Wiley ID 1266636