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2H-Pyrrolo[3,4-d]isothiazole-4,6(3H,5H)-dione, dihydro-3-[2-(methylthio)ethyl]-5-(2-propenyl)-, 1-oxide, (1.alpha.,3.beta.,3a.alpha.,6a.alpha.)-(.+-.)-
SpectraBase Compound ID 33DCobkZHNN
InChI InChI=1S/C11H16N2O3S2/c1-3-5-13-10(14)8-7(4-6-17-2)12-18(16)9(8)11(13)15/h3,7-9,12H,1,4-6H2,2H3/t7?,8-,9-,18?/m0/s1
InChIKey ONLQTYIHINCOGP-CZLVUTIKSA-N
Mol Weight 288.38 g/mol
Molecular Formula C11H16N2O3S2
Exact Mass 288.060235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2phAZKjXCMs
Name 2H-Pyrrolo[3,4-d]isothiazole-4,6(3H,5H)-dione, dihydro-3-[2-(methylthio)ethyl]-5-(2-propenyl)-, 1-oxide, (1.alpha.,3.beta.,3a.alpha.,6a.alpha.)-(.+-.)-
Alternate Name(s) (3aR,6aS)-5-allyl-3-[2-(methylsulfanyl)ethyl]dihydro-2H-pyrrolo[3,4-d]isothiazole-4,6(3H,5H)-dione 1-oxide 4-(thiomethyl)ethyl-7-allyl-2-thia-6,8-dioxo-3,7-diazobicyclo[3.3.0]octane S-oxide
CAS Registry Number 119066-55-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16N2O3S2
InChI InChI=1S/C11H16N2O3S2/c1-3-5-13-10(14)8-7(4-6-17-2)12-18(16)9(8)11(13)15/h3,7-9,12H,1,4-6H2,2H3/t7?,8-,9-,18?/m0/s1
InChIKey ONLQTYIHINCOGP-CZLVUTIKSA-N
Molecular Weight 288.380 g/mol
SMILES N1C([C@]2([C@]([S@]1=O)(C(N(C2=O)CC=C)=O)[H])[H])CCSC
SPLASH splash10-03dl-9060000000-aa2919661fc7487e7102
Source of Spectrum F-44-4950-14
Wiley ID 1291253