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Thieno[3,2-d]isothiazol-4-ol, 5-nitro-3-phenyl-
SpectraBase Compound ID CB4ZJXdEPDw
InChI InChI=1S/C11H6N2O3S2/c14-9-7-8(6-4-2-1-3-5-6)12-18-11(7)17-10(9)13(15)16/h1-5,14H
InChIKey JZVPYSDVGUCVAR-UHFFFAOYSA-N
Mol Weight 278.3 g/mol
Molecular Formula C11H6N2O3S2
Exact Mass 277.981984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Ao2Sd787zG
Name Thieno[3,2-d]isothiazol-4-ol, 5-nitro-3-phenyl-
CAS Registry Number 126938-94-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H6N2O3S2
InChI InChI=1S/C11H6N2O3S2/c14-9-7-8(6-4-2-1-3-5-6)12-18-11(7)17-10(9)13(15)16/h1-5,14H
InChIKey JZVPYSDVGUCVAR-UHFFFAOYSA-N
Molecular Weight 278.300 g/mol
SMILES Oc1c2c(nsc2sc1N(=O)=O)-c1ccccc1
SPLASH splash10-03dj-0390000000-6ef534e66dfc12e2ccbe
Source of Spectrum B-42-1302-3
Synonyms 5-Nitro-3-phenylthieno[3,2-d]isothiazol-4-ol
Wiley ID 1281450