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Thieno[3,2-d]isothiazole-5-carboxylic acid, 4-bromo-3-phenyl-, ethyl ester
SpectraBase Compound ID EGIzZKmurYk
InChI InChI=1S/C14H10BrNO2S2/c1-2-18-13(17)12-10(15)9-11(16-20-14(9)19-12)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey IFESYDOLGZQFRE-UHFFFAOYSA-N
Mol Weight 368.26 g/mol
Molecular Formula C14H10BrNO2S2
Exact Mass 366.933634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7sc6HUrwRdt
Name Thieno[3,2-d]isothiazole-5-carboxylic acid, 4-bromo-3-phenyl-, ethyl ester
Alternate Name(s) Ethyl 4-bromo-3-phenylthieno[3,2-d]isothiazol-5-carboxylate Ethyl 4-bromo-3-phenylthieno[3,2-d]isothiazole-5-carboxylate
CAS Registry Number 126938-95-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H10BrNO2S2
InChI InChI=1S/C14H10BrNO2S2/c1-2-18-13(17)12-10(15)9-11(16-20-14(9)19-12)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey IFESYDOLGZQFRE-UHFFFAOYSA-N
Molecular Weight 368.263 g/mol
SMILES c12c(sc(c2Br)C(=O)OCC)snc1-c1ccccc1
SPLASH splash10-014i-1219000000-fcf2d8a4a707d4587680
Source of Spectrum B-42-1303-3
Wiley ID 1352406