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(3aS,8aR)-1-(diphenylmethyl)-3a-phenyl-3,5,6,7,8,8a-hexahydro-2H-cyclohepta[b]pyrrol-4-one
SpectraBase Compound ID nXCrWCq0e4
InChI InChI=1S/C28H29NO/c30-26-19-11-10-18-25-28(26,24-16-8-3-9-17-24)20-21-29(25)27(22-12-4-1-5-13-22)23-14-6-2-7-15-23/h1-9,12-17,25,27H,10-11,18-21H2/t25-,28+/m1/s1
InChIKey QZUIXERCMKLGGM-NAKRPHOHSA-N
Mol Weight 395.55 g/mol
Molecular Formula C28H29NO
Exact Mass 395.224915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LyWHo7lm0BO
Name (3aS,8aR)-1-(diphenylmethyl)-3a-phenyl-3,5,6,7,8,8a-hexahydro-2H-cyclohepta[b]pyrrol-4-one
Alternate Name(s) (3aS,8aR)-1-benzhydryl-3a-phenyl-3,5,6,7,8,8a-hexahydro-2H-cyclohepta[b]pyrrol-4-one
CAS Registry Number 83196-06-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H29NO
InChI InChI=1S/C28H29NO/c30-26-19-11-10-18-25-28(26,24-16-8-3-9-17-24)20-21-29(25)27(22-12-4-1-5-13-22)23-14-6-2-7-15-23/h1-9,12-17,25,27H,10-11,18-21H2/t25-,28+/m1/s1
InChIKey QZUIXERCMKLGGM-NAKRPHOHSA-N
Molecular Weight 395.546 g/mol
SMILES [C@]12(N(CC[C@]2(C(=O)CCCC1)c1ccccc1)C(c1ccccc1)c1ccccc1)[H]
SPLASH splash10-014i-0903000000-f2d7a36a9fd7ea8650ef
Source of Spectrum J-48-3398-0
Wiley ID 1367173