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5H-[1,3]Oxathiolo[4,5-e]isoindole-6,8(5aH,7H)-dione, 8a,8b-dihydro-4-methyl-7-phenyl-, 1-oxide, (1.alpha.,5a.alpha.,8a.alpha.,8b.alpha.)-
SpectraBase Compound ID 5Mt798FX7OH
InChI InChI=1S/C16H15NO4S/c1-9-7-11-12(14-13(9)21-8-22(14)20)16(19)17(15(11)18)10-5-3-2-4-6-10/h2-6,11-12,14H,7-8H2,1H3/t11-,12-,14+,22?/m1/s1
InChIKey KFRKFXYQRKJBJX-XFXGSCNHSA-N
Mol Weight 317.36 g/mol
Molecular Formula C16H15NO4S
Exact Mass 317.072179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9vHmwsR9yia
Name 5H-[1,3]Oxathiolo[4,5-e]isoindole-6,8(5aH,7H)-dione, 8a,8b-dihydro-4-methyl-7-phenyl-, 1-oxide, (1.alpha.,5a.alpha.,8a.alpha.,8b.alpha.)-
Alternate Name(s) (5aR,8aS,8bS)-4-methyl-7-phenyl-8a,8b-dihydro-5H-[1,3]oxathiolo[4,5-e]isoindole-6,8(5aH,7H)-dione 1-oxide
CAS Registry Number 114274-92-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15NO4S
InChI InChI=1S/C16H15NO4S/c1-9-7-11-12(14-13(9)21-8-22(14)20)16(19)17(15(11)18)10-5-3-2-4-6-10/h2-6,11-12,14H,7-8H2,1H3/t11-,12-,14+,22?/m1/s1
InChIKey KFRKFXYQRKJBJX-XFXGSCNHSA-N
Molecular Weight 317.359 g/mol
SMILES [C@]12(C(N(c3ccccc3)C([C@@]1(CC(C)=C1[C@]2([S@@](CO1)=O)[H])[H])=O)=O)[H]
SPLASH splash10-0a6r-0963000000-87be65ec6351c6c520dd
Source of Spectrum C-110-4633-32
Wiley ID 1317593