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(3aR*,7aS*)-2-Phenyl-5-SR*-(phenylsulfinyl)-2,3,3a,4,7,7a-hexahydro-1H-1,3-isoindoledione
SpectraBase Compound ID 6n1c7QtoG3b
InChI InChI=1S/C20H17NO3S/c22-19-17-12-11-16(25(24)15-9-5-2-6-10-15)13-18(17)20(23)21(19)14-7-3-1-4-8-14/h1-11,17-18H,12-13H2/t17-,18+,25?/m1/s1
InChIKey ODENGEBWCZXTGN-GHTAMBSGSA-N
Mol Weight 351.42 g/mol
Molecular Formula C20H17NO3S
Exact Mass 351.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JgGFvxA9oz9
Name (3aS*,7aR*)-2-Phenyl-5-SR*-(phenylsulfinyl)-2,3,3a,4,7,7a-hexahydro-1H-1,3-isoindoledione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17NO3S
InChI InChI=1S/C20H17NO3S/c22-19-17-12-11-16(25(24)15-9-5-2-6-10-15)13-18(17)20(23)21(19)14-7-3-1-4-8-14/h1-11,17-18H,12-13H2/t17-,18+,25?/m1/s1
InChIKey ODENGEBWCZXTGN-GHTAMBSGSA-N
Molecular Weight 351.420 g/mol
SMILES C1(N(C([C@@]2(CC=C(C[C@]12[H])[S@](=O)c1ccccc1)[H])=O)c1ccccc1)=O
SPLASH splash10-01ri-3978000000-77799fab834bf4c4b457
Source of Spectrum QA-47-87-4
Wiley ID 863323