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2-(((1S,2S)-2-benzoyl-2-phenylcyclohexyl)amino)isoindoline-1,3-dione
SpectraBase Compound ID 7dxhQFYQlLz
InChI InChI=1S/C27H24N2O3/c30-24(19-11-3-1-4-12-19)27(20-13-5-2-6-14-20)18-10-9-17-23(27)28-29-25(31)21-15-7-8-16-22(21)26(29)32/h1-8,11-16,23,28H,9-10,17-18H2/t23-,27-/m0/s1
InChIKey HHZJLJWPEVTTRI-HOFKKMOUSA-N
Mol Weight 424.5 g/mol
Molecular Formula C27H24N2O3
Exact Mass 424.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JMTVkaY4vjq
Name 2-(((1S,2S)-2-benzoyl-2-phenylcyclohexyl)amino)isoindoline-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H24N2O3
InChI InChI=1S/C27H24N2O3/c30-24(19-11-3-1-4-12-19)27(20-13-5-2-6-14-20)18-10-9-17-23(27)28-29-25(31)21-15-7-8-16-22(21)26(29)32/h1-8,11-16,23,28H,9-10,17-18H2/t23-,27-/m0/s1
InChIKey HHZJLJWPEVTTRI-HOFKKMOUSA-N
Literature Reference DOI 10.1021/ol802005n
Molecular Weight 424.500 g/mol
SMILES N([C@]1(CCCC[C@@]1(c1ccccc1)C(c1ccccc1)=O)[H])N1C(c2c(C1=O)cccc2)=O
SPLASH splash10-0a6r-7900100000-f1693184d0de91fb7b88
Source of Spectrum A1-10-4943/SMS4-3b
Wiley ID 1760000