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cis-3-Ethyl-4a-(cyanomethyl)-9-benzylhexahydrocarbazol-4-one
SpectraBase Compound ID 4d0dJECOZlP
InChI InChI=1S/C23H24N2O/c1-2-18-12-13-21-23(14-15-24,22(18)26)19-10-6-7-11-20(19)25(21)16-17-8-4-3-5-9-17/h3-11,18,21H,2,12-14,16H2,1H3/t18?,21-,23-/m0/s1
InChIKey QEGPNUOATQYULU-BUQVANKGSA-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 B21ZtM0P4Ea
Name cis-3-Ethyl-4a-(cyanomethyl)-9-benzylhexahydrocarbazol-4-one
Alternate Name(s) [(4aS,9aS)-9-benzyl-3-ethyl-4-oxo-1,2,3,4,9,9a-hexahydro-4aH-carbazol-4a-yl]acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H24N2O
InChI InChI=1S/C23H24N2O/c1-2-18-12-13-21-23(14-15-24,22(18)26)19-10-6-7-11-20(19)25(21)16-17-8-4-3-5-9-17/h3-11,18,21H,2,12-14,16H2,1H3/t18?,21-,23-/m0/s1
InChIKey QEGPNUOATQYULU-BUQVANKGSA-N
Molecular Weight 344.458 g/mol
SMILES [C@]12([C@@](N(Cc3ccccc3)c3c1cccc3)(CCC(C2=O)CC)[H])CC#N
SPLASH splash10-0006-9013000000-ec679130d5e77fe1f043
Source of Spectrum J-58-6461-16
Wiley ID 1338326