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3,4-Isothiazoledicarboxylic acid, 5-phenyl-, dimethyl ester
SpectraBase Compound ID BdSQNxgZmWs
InChI InChI=1S/C13H11NO4S/c1-17-12(15)9-10(13(16)18-2)14-19-11(9)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey STQRJRKINWZXBE-UHFFFAOYSA-N
Mol Weight 277.29 g/mol
Molecular Formula C13H11NO4S
Exact Mass 277.040879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LexLoPDwp0M
Name 3,4-Isothiazoledicarboxylic acid, 5-phenyl-, dimethyl ester
Alternate Name(s) Dimethyl 5-phenyl-1,2-thiaole-3,4-dicarboxylate Dimethyl 5-phenyl-3,4-isothiazoledicarboxylate Dimethyl 5-phenylisothiazole-3,4-dicarboxylate Dimethyl 5-phenyl-1,2-thiazole-3,4-dicarboxylate
CAS Registry Number 32585-80-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11NO4S
InChI InChI=1S/C13H11NO4S/c1-17-12(15)9-10(13(16)18-2)14-19-11(9)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey STQRJRKINWZXBE-UHFFFAOYSA-N
Molecular Weight 277.294 g/mol
SMILES c1(c(nsc1-c1ccccc1)C(=O)OC)C(=O)OC
SPLASH splash10-0006-0900000000-db0ef2d2a6622b82c419
Source of Spectrum KC-1989-2493-15
Wiley ID 1280850