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2H-Pyrrolo[3,4-d]isothiazole-4,6(3H,5H)-dione, dihydro-5-methyl-3-(phenylmethyl)-, 1-oxide, (3.alpha.,3a.beta.,6a.beta.)-

View entire compound with spectra: 1 MS (GC)

2H-Pyrrolo[3,4-d]isothiazole-4,6(3H,5H)-dione, dihydro-5-methyl-3-(phenylmethyl)-, 1-oxide, (3.alpha.,3a.beta.,6a.beta.)-
SpectraBase Compound ID 2xqjDuuFciR
InChI InChI=1S/C13H14N2O3S/c1-15-12(16)10-9(7-8-5-3-2-4-6-8)14-19(18)11(10)13(15)17/h2-6,9-11,14H,7H2,1H3/t9-,10+,11-,19?/m0/s1
InChIKey JELRHAFYRVFANP-IBPOHYMRSA-N
Mol Weight 278.33 g/mol
Molecular Formula C13H14N2O3S
Exact Mass 278.072513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E9zAF3foJNq
Name 2H-Pyrrolo[3,4-d]isothiazole-4,6(3H,5H)-dione, dihydro-5-methyl-3-(phenylmethyl)-, 1-oxide, (3.alpha.,3a.beta.,6a.beta.)-
Alternate Name(s) (3S,3aS,6aS)-3-benzyl-5-methyldihydro-2H-pyrrolo[3,4-d]isothiazole-4,6(3H,5H)-dione 1-oxide 4-Benzyl-7-methyl-2-thia-6,8-dioxo-3,7-diazobicyclo[3.3.0]octane S-oxide
CAS Registry Number 109574-44-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O3S
InChI InChI=1S/C13H14N2O3S/c1-15-12(16)10-9(7-8-5-3-2-4-6-8)14-19(18)11(10)13(15)17/h2-6,9-11,14H,7H2,1H3/t9-,10+,11-,19?/m0/s1
InChIKey JELRHAFYRVFANP-IBPOHYMRSA-N
Molecular Weight 278.326 g/mol
SMILES N1[C@]([C@@]2([C@](S1=O)(C(N(C2=O)C)=O)[H])[H])(Cc1ccccc1)[H]
SPLASH splash10-014l-3910000000-143279355b3647c5001f
Source of Spectrum F-44-4949-14
Wiley ID 1281644