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cis-3,3-Dimethyl-4a-(cyanomethyl)-9-benzylhexahydrocarbazol-4-one
SpectraBase Compound ID 1j2Ltos3H6D
InChI InChI=1S/C23H24N2O/c1-22(2)13-12-20-23(14-15-24,21(22)26)18-10-6-7-11-19(18)25(20)16-17-8-4-3-5-9-17/h3-11,20H,12-14,16H2,1-2H3/t20-,23-/m0/s1
InChIKey ZCXGHJOWLPJZQZ-REWPJTCUSA-N
Mol Weight 344.46 g/mol
Molecular Formula C23H24N2O
Exact Mass 344.188863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F33aquLFfmZ
Name cis-3,3-Dimethyl-4a-(cyanomethyl)-9-benzylhexahydrocarbazol-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H24N2O
InChI InChI=1S/C23H24N2O/c1-22(2)13-12-20-23(14-15-24,21(22)26)18-10-6-7-11-19(18)25(20)16-17-8-4-3-5-9-17/h3-11,20H,12-14,16H2,1-2H3/t20-,23-/m0/s1
InChIKey ZCXGHJOWLPJZQZ-REWPJTCUSA-N
Molecular Weight 344.458 g/mol
SMILES [C@]12([C@@](N(Cc3ccccc3)c3c1cccc3)(CCC(C2=O)(C)C)[H])CC#N
SPLASH splash10-0006-9211000000-8a7be9315455fefb73ad
Source of Spectrum J-58-6461-17
Synonyms [(4aS,9aS)-9-benzyl-3,3-dimethyl-4-oxo-1,2,3,4,9,9a-hexahydro-4aH-carbazol-4a-yl]acetonitrile
Wiley ID 1338324