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(4aR,9aS)-3-Ethyl-9-benzyl-1,2,3,4,4a,9a-hexahydrocarbazol-4-one isomer
SpectraBase Compound ID G8fOzbo6917
InChI InChI=1S/C21H23NO/c1-2-16-12-13-19-20(21(16)23)17-10-6-7-11-18(17)22(19)14-15-8-4-3-5-9-15/h3-11,16,19-20H,2,12-14H2,1H3/t16?,19-,20+/m0/s1
InChIKey FGLLMDXEULRJQY-KHMGXFTDSA-N
Mol Weight 305.42 g/mol
Molecular Formula C21H23NO
Exact Mass 305.177964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3FD22FOqb75
Name (4aR,9aS)-3-Ethyl-9-benzyl-1,2,3,4,4a,9a-hexahydrocarbazol-4-one isomer
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Formula C21H23NO
InChI InChI=1S/C21H23NO/c1-2-16-12-13-19-20(21(16)23)17-10-6-7-11-18(17)22(19)14-15-8-4-3-5-9-15/h3-11,16,19-20H,2,12-14H2,1H3/t16?,19-,20+/m0/s1
InChIKey FGLLMDXEULRJQY-KHMGXFTDSA-N
Molecular Weight 305.421 g/mol
SMILES [C@@]12(N(c3c([C@]2(C(=O)C(CC1)CC)[H])cccc3)Cc1ccccc1)[H]
SPLASH splash10-002f-6092000000-a3f4fe2a23763fcdb0c1
Source of Spectrum KC-0-610-3
Synonyms trans-3-Ethyl-9-benzylhexahydrocarbazol-4-one (4aR,9aS)-9-benzyl-3-ethyl-1,2,3,4a,9,9a-hexahydro-4H-carbazol-4-one (4aR,9aS)-9-Benzyl-3-ethyl-1,2,3,4a,9,9a-hexahydro-carbazol-4-one trans-3-Ethyl-9-benzyl-1,2,3,4,4a,9a-hexahydrocarbazol-4-one isomer
Wiley ID 820405