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2H-Pyrrolo[3,4-d]isothiazole-4,6(3H,5H)-dione, dihydro-3-(phenylmethyl)-5-(2-propenyl)-, 1-oxide, (1.alpha.,3.beta.,3a.alpha.,6a.alpha.)-(.+-.)-
SpectraBase Compound ID BGui8beXNHu
InChI InChI=1S/C15H16N2O3S/c1-2-8-17-14(18)12-11(9-10-6-4-3-5-7-10)16-21(20)13(12)15(17)19/h2-7,11-13,16H,1,8-9H2/t11-,12+,13-,21?/m1/s1
InChIKey HTQPLGBPNRZXRG-OOLYHYBWSA-N
Mol Weight 304.36 g/mol
Molecular Formula C15H16N2O3S
Exact Mass 304.088164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9uvGePp71PQ
Name 2H-Pyrrolo[3,4-d]isothiazole-4,6(3H,5H)-dione, dihydro-3-(phenylmethyl)-5-(2-propenyl)-, 1-oxide, (1.alpha.,3.beta.,3a.alpha.,6a.alpha.)-(.+-.)-
CAS Registry Number 119066-53-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N2O3S
InChI InChI=1S/C15H16N2O3S/c1-2-8-17-14(18)12-11(9-10-6-4-3-5-7-10)16-21(20)13(12)15(17)19/h2-7,11-13,16H,1,8-9H2/t11-,12+,13-,21?/m1/s1
InChIKey HTQPLGBPNRZXRG-OOLYHYBWSA-N
Molecular Weight 304.364 g/mol
SMILES N1[C@@]([C@]2([C@@]([S@]1=O)(C(N(C2=O)CC=C)=O)[H])[H])(Cc1ccccc1)[H]
SPLASH splash10-0fr6-9528000000-66514dbd5a843db86253
Source of Spectrum F-44-4949-14
Synonyms (3R,3aR,6aR)-5-allyl-3-benzyldihydro-2H-pyrrolo[3,4-d]isothiazole-4,6(3H,5H)-dione 1-oxide 4-Benzyl-7-allyl-2-thia-6,8-dioxo-3,7-diazobicyclo[3.3.0]octane S-oxide
Wiley ID 1306212