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3-Chloro-5-phenyl-4-isothiazolecarboxylic acid
SpectraBase Compound ID It5RloqTFNP
InChI InChI=1S/C10H6ClNO2S/c11-9-7(10(13)14)8(15-12-9)6-4-2-1-3-5-6/h1-5H,(H,13,14)
InChIKey FBIDVVAOYSPDTL-UHFFFAOYSA-N
Mol Weight 239.68 g/mol
Molecular Formula C10H6ClNO2S
Exact Mass 238.980777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H7yM85DvinM
Name 3-Chloro-5-phenyl-4-isothiazolecarboxylic acid
Alternate Name(s) 3-Chloranyl-5-phenyl-1,2-thiazole-4-carboxylic acid 3-Chloro-5-phenyl-1,2-thiazole-4-carboxylic acid 3-Chloro-5-phenyl-isothiazole-4-carboxylic acid Isothiazole-4-carboxylic acid, 3-chloro-5-phenyl-
CAS Registry Number 86125-06-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H6ClNO2S
InChI InChI=1S/C10H6ClNO2S/c11-9-7(10(13)14)8(15-12-9)6-4-2-1-3-5-6/h1-5H,(H,13,14)
InChIKey FBIDVVAOYSPDTL-UHFFFAOYSA-N
Molecular Weight 239.676 g/mol
SMILES OC(c1c(snc1Cl)-c1ccccc1)=O
SPLASH splash10-000i-4490000000-def18cf344a2a87e6bb1
Source of Spectrum AD-0-2532-0
Wiley ID 1423163