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2H-Pyrrolo[3,4-d]isothiazole-3,3(3aH)-dicarboxylic acid, tetrahydro-5-methyl-4,6-dioxo-, diethyl ester, 1-oxide, (1.alpha.,3a.alpha.,6a.alpha.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

2H-Pyrrolo[3,4-d]isothiazole-3,3(3aH)-dicarboxylic acid, tetrahydro-5-methyl-4,6-dioxo-, diethyl ester, 1-oxide, (1.alpha.,3a.alpha.,6a.alpha.)-(.+-.)-
SpectraBase Compound ID PYSDGlASI4
InChI InChI=1S/C12H16N2O7S/c1-4-20-10(17)12(11(18)21-5-2)6-7(22(19)13-12)9(16)14(3)8(6)15/h6-7,13H,4-5H2,1-3H3
InChIKey QAEIZVBTZVNDJK-UHFFFAOYSA-N
Mol Weight 332.33 g/mol
Molecular Formula C12H16N2O7S
Exact Mass 332.067822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BDEmiIjU0I9
Name 2H-Pyrrolo[3,4-d]isothiazole-3,3(3aH)-dicarboxylic acid, tetrahydro-5-methyl-4,6-dioxo-, diethyl ester, 1-oxide, (1.alpha.,3a.alpha.,6a.alpha.)-(.+-.)-
CAS Registry Number 119066-60-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N2O7S
InChI InChI=1S/C12H16N2O7S/c1-4-20-10(17)12(11(18)21-5-2)6-7(22(19)13-12)9(16)14(3)8(6)15/h6-7,13H,4-5H2,1-3H3
InChIKey QAEIZVBTZVNDJK-UHFFFAOYSA-N
Molecular Weight 332.327 g/mol
SMILES N1C(C2C([S+]1[O-])C(N(C2=O)C)=O)(C(=O)OCC)C(=O)OCC
SPLASH splash10-004i-9400000000-1d409ad7ed1cb3690cde
Source of Spectrum F-44-4951-17
Synonyms Diethyl 5-methyl-4,6-dioxotetrahydro-2H-pyrrolo[3,4-d]isothiazole-3,3(3aH)-dicarboxylate 1-oxide Diethyl 7-methyl-2-thia-6,8-dioxo-3,7-diazobicyclo[3.3.0]octane-2,2-dicarboxylate S-oxide
Wiley ID 1329004