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Thieno[3,2-d]isothiazole-5-carboxylic acid, 4-bromo-3-phenyl-
SpectraBase Compound ID 7DAo5Cbuu6i
InChI InChI=1S/C12H6BrNO2S2/c13-8-7-9(6-4-2-1-3-5-6)14-18-12(7)17-10(8)11(15)16/h1-5H,(H,15,16)
InChIKey UTFXENBBNWPLFP-UHFFFAOYSA-N
Mol Weight 340.21 g/mol
Molecular Formula C12H6BrNO2S2
Exact Mass 338.902334 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3M1z08Mw8ke
Name Thieno[3,2-d]isothiazole-5-carboxylic acid, 4-bromo-3-phenyl-
CAS Registry Number 126938-96-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H6BrNO2S2
InChI InChI=1S/C12H6BrNO2S2/c13-8-7-9(6-4-2-1-3-5-6)14-18-12(7)17-10(8)11(15)16/h1-5H,(H,15,16)
InChIKey UTFXENBBNWPLFP-UHFFFAOYSA-N
Molecular Weight 340.209 g/mol
SMILES OC(c1c(c2c(s1)snc2-c1ccccc1)Br)=O
SPLASH splash10-0292-6796000000-16a862f28994530cddba
Source of Spectrum B-42-1303-3
Synonyms 4-Bromo-3-phenylthieno[3,2-d]isothiazol-5-carboxylic acid 4-Bromo-3-phenylthieno[3,2-d]isothiazole-5-carboxylic acid
Wiley ID 1334295