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(4aR,9aR)-1-Benzyl-3.beta.-ethyl-4a-Oxoethylhexahydrocarbazol-4-one

View entire compound with spectra: 1 MS (GC)

(4aR,9aR)-1-Benzyl-3.beta.-ethyl-4a-Oxoethylhexahydrocarbazol-4-one
SpectraBase Compound ID F4au0njZTPz
InChI InChI=1S/C23H25NO2/c1-2-18-12-13-21-23(14-15-25,22(18)26)19-10-6-7-11-20(19)24(21)16-17-8-4-3-5-9-17/h3-11,15,18,21H,2,12-14,16H2,1H3/t18-,21+,23+/m0/s1
InChIKey BPFBRXVKDHFCMR-QTGUNEKASA-N
Mol Weight 347.46 g/mol
Molecular Formula C23H25NO2
Exact Mass 347.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BPgeBhTaelq
Name (4aR,9aR)-1-Benzyl-3.beta.-ethyl-4a-Oxoethylhexahydrocarbazol-4-one
Alternate Name(s) 1-Benzyl-3.beta.-ethyl-4a-Oxoethylhexahydrocarbazol-4-one [(3S,4aR,9aR)-9-benzyl-3-ethyl-4-oxo-1,2,3,4,9,9a-hexahydro-4aH-carbazol-4a-yl]acetaldehyde
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Formula C23H25NO2
InChI InChI=1S/C23H25NO2/c1-2-18-12-13-21-23(14-15-25,22(18)26)19-10-6-7-11-20(19)24(21)16-17-8-4-3-5-9-17/h3-11,15,18,21H,2,12-14,16H2,1H3/t18-,21+,23+/m0/s1
InChIKey BPFBRXVKDHFCMR-QTGUNEKASA-N
Molecular Weight 347.458 g/mol
SMILES [C@@]12([C@](N(Cc3ccccc3)c3c1cccc3)(CC[C@@](C2=O)(CC)[H])[H])CC=O
SPLASH splash10-0006-9032000000-2b1c991078dc31a1f715
Source of Spectrum H1-38-1917-18
Wiley ID 756498