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(3S)-3-methyl-2-[(1S,5R,6R)-6-nitro-5-phenyl-1-cyclohex-2-enyl]-3H-isoindol-1-one
SpectraBase Compound ID j5es99S8Lr
InChI InChI=1S/C21H20N2O3/c1-14-16-10-5-6-11-18(16)21(24)22(14)19-13-7-12-17(20(19)23(25)26)15-8-3-2-4-9-15/h2-11,13-14,17,19-20H,12H2,1H3/t14-,17+,19-,20+/m0/s1
InChIKey CNTMIPPGJIQTJJ-LDRHYZDKSA-N
Mol Weight 348.4 g/mol
Molecular Formula C21H20N2O3
Exact Mass 348.147393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GbYS91iciLK
Name (3S)-3-methyl-2-[(1S,5R,6R)-6-nitro-5-phenyl-1-cyclohex-2-enyl]-3H-isoindol-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N2O3
InChI InChI=1S/C21H20N2O3/c1-14-16-10-5-6-11-18(16)21(24)22(14)19-13-7-12-17(20(19)23(25)26)15-8-3-2-4-9-15/h2-11,13-14,17,19-20H,12H2,1H3/t14-,17+,19-,20+/m0/s1
InChIKey CNTMIPPGJIQTJJ-LDRHYZDKSA-N
Molecular Weight 348.402 g/mol
SMILES C1(N([C@](c2ccccc12)(C)[H])[C@@]1([C@](N(=O)=O)([C@@](c2ccccc2)(CC=C1)[H])[H])[H])=O
SPLASH splash10-0002-0903000000-438f9370272f3e39b9c3
Source of Spectrum K-2002-78-11
Synonyms (3S)-3-methyl-2-[(1S,5R,6R)-6-nitro-5-phenyl-cyclohex-2-en-1-yl]-3H-isoindol-1-one (3S)-3-methyl-2-[(1S,5R,6R)-6-nitro-5-phenyl-cyclohex-2-en-1-yl]isoindolin-1-one
Wiley ID 1580593