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13b-hydroxy-6,7-dihydro-1H-[1,3,6]oxathiazonino[5,6-a]isoindole-5,9-dione
SpectraBase Compound ID AMg6Iejt9HD
InChI InChI=1S/C13H13NO4S/c15-11-5-6-14-12(16)9-3-1-2-4-10(9)13(14,17)7-19-8-18-11/h1-4,17H,5-8H2
InChIKey PKTWISPLIODHQX-UHFFFAOYSA-N
Mol Weight 279.31 g/mol
Molecular Formula C13H13NO4S
Exact Mass 279.056529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HkG0q1qZwnz
Name 13b-hydroxy-6,7-dihydro-1H-[1,3,6]oxathiazonino[5,6-a]isoindole-5,9-dione
Alternate Name(s) 13b-hydroxy-6,7-dihydro-1H-[1,3,6]oxathiazonin[5,6-a]isoindole-5,9-quinone 13b-oxidanyl-6,7-dihydro-1H-[1,3,6]oxathiazonino[5,6-a]isoindole-5,9-dione
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Formula C13H13NO4S
InChI InChI=1S/C13H13NO4S/c15-11-5-6-14-12(16)9-3-1-2-4-10(9)13(14,17)7-19-8-18-11/h1-4,17H,5-8H2
InChIKey PKTWISPLIODHQX-UHFFFAOYSA-N
Molecular Weight 279.310 g/mol
SMILES OC12N(C(c3ccccc23)=O)CCC(OCSC1)=O
SPLASH splash10-03di-9110000000-c4381e0a8d5a8ec2ca5d
Source of Spectrum J-65-9032-4
Wiley ID 1534074