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2H-Pyrrolo[3,4-d]isothiazole-4,6(3H,5H)-dione, dihydro-5-methyl-3-phenyl-, 1-oxide, (3.alpha.,3a.beta.,6a.beta.)-
SpectraBase Compound ID 7rhBTgeGRGF
InChI InChI=1S/C12H12N2O3S/c1-14-11(15)8-9(7-5-3-2-4-6-7)13-18(17)10(8)12(14)16/h2-6,8-10,13H,1H3/t8-,9+,10+,18?/m1/s1
InChIKey RRVAKIXEGQCVHQ-XNNFOCEOSA-N
Mol Weight 264.3 g/mol
Molecular Formula C12H12N2O3S
Exact Mass 264.056863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BzeY7VkRnwF
Name 2H-Pyrrolo[3,4-d]isothiazole-4,6(3H,5H)-dione, dihydro-5-methyl-3-phenyl-, 1-oxide, (3.alpha.,3a.beta.,6a.beta.)-
CAS Registry Number 109574-43-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O3S
InChI InChI=1S/C12H12N2O3S/c1-14-11(15)8-9(7-5-3-2-4-6-7)13-18(17)10(8)12(14)16/h2-6,8-10,13H,1H3/t8-,9+,10+,18?/m1/s1
InChIKey RRVAKIXEGQCVHQ-XNNFOCEOSA-N
Molecular Weight 264.299 g/mol
SMILES N1[C@]([C@@]2([C@](S1=O)(C(N(C2=O)C)=O)[H])[H])(c1ccccc1)[H]
SPLASH splash10-0006-9200000000-681794ffb5e3769cb5ed
Source of Spectrum F-44-4949-14
Synonyms (3R,3aS,6aS)-5-methyl-3-phenyldihydro-2H-pyrrolo[3,4-d]isothiazole-4,6(3H,5H)-dione 1-oxide 4-Phenyl-7-methyl-2-thia-6,8-dioxo-3,7-diazobicyclo[3.3.0]octane S-oxide
Wiley ID 1267551