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Thieno[3,2-d]isothiazole-4-carboxylic acid, 5-nitro-3-phenyl-
SpectraBase Compound ID 4ijIbIElWhb
InChI InChI=1S/C12H6N2O4S2/c15-11(16)8-7-9(6-4-2-1-3-5-6)13-20-12(7)19-10(8)14(17)18/h1-5H,(H,15,16)
InChIKey SIXRUFXETQBALH-UHFFFAOYSA-N
Mol Weight 306.31 g/mol
Molecular Formula C12H6N2O4S2
Exact Mass 305.976899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPdOUTSMrid
Name Thieno[3,2-d]isothiazole-4-carboxylic acid, 5-nitro-3-phenyl-
Alternate Name(s) 5-Nitro-3-phenylthieno[3,2-d]isothiazole-4-carboxylic acid
CAS Registry Number 126939-01-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H6N2O4S2
InChI InChI=1S/C12H6N2O4S2/c15-11(16)8-7-9(6-4-2-1-3-5-6)13-20-12(7)19-10(8)14(17)18/h1-5H,(H,15,16)
InChIKey SIXRUFXETQBALH-UHFFFAOYSA-N
Molecular Weight 306.310 g/mol
SMILES OC(c1c2c(sc1N(=O)=O)snc2-c1ccccc1)=O
SPLASH splash10-03di-0390000000-45306760907e3e300eac
Source of Spectrum B-42-1304-3
Wiley ID 1307659