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2,1,3-Benzothiadiazole-1,3-dicarboxylic acid, 3a,4,5,7a-tetrahydro-, dimethyl ester, cis-(.+-.)-
SpectraBase Compound ID FY3agRyZH56
InChI InChI=1S/C10H14N2O4S/c1-15-9(13)11-7-5-3-4-6-8(7)12(17-11)10(14)16-2/h3,5,7-8H,4,6H2,1-2H3/t7-,8+/m0/s1
InChIKey GOWPZRYFPZVEAY-JGVFFNPUSA-N
Mol Weight 258.29 g/mol
Molecular Formula C10H14N2O4S
Exact Mass 258.067428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5kkknQNoWw4
Name 2,1,3-Benzothiadiazole-1,3-dicarboxylic acid, 3a,4,5,7a-tetrahydro-, dimethyl ester, cis-(.+-.)-
CAS Registry Number 93062-09-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14N2O4S
InChI InChI=1S/C10H14N2O4S/c1-15-9(13)11-7-5-3-4-6-8(7)12(17-11)10(14)16-2/h3,5,7-8H,4,6H2,1-2H3/t7-,8+/m0/s1
InChIKey GOWPZRYFPZVEAY-JGVFFNPUSA-N
Molecular Weight 258.292 g/mol
SMILES C(N1SN([C@@]2([C@]1(CCC=C2)[H])[H])C(=O)OC)(=O)OC
SPLASH splash10-0a4i-9140000000-f9376a8de2479d33f13b
Source of Spectrum C-106-7872-0
Synonyms Dimethyl (3aR,7aS)-3a,4,5,7a-tetrahydro-2,1,3-benzothiadiazole-1,3-dicarboxylate Dimethyl ester of cis-(+,-)-3a,4,5,7a-tetrahydro-2,1,3-benzothiadiazole-1,3-dicarboxylic acid
Wiley ID 1261241