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(1R,5S,12S)-12-Ethyl-3-oxo-1,2,3,4,5,6-hexahydro-1,5-methanoazocino[4,3-b]indole isomer
SpectraBase Compound ID ilnCQ2Pinq
InChI InChI=1S/C16H18N2O/c1-2-13-11-8-12-7-10-5-3-4-6-14(10)18(12)16(13)17-15(19)9-11/h3-7,11,13,16H,2,8-9H2,1H3,(H,17,19)/t11-,13+,16-/m0/s1
InChIKey SRDPXNRMNKYBOZ-NXLBOVRGSA-N
Mol Weight 254.33 g/mol
Molecular Formula C16H18N2O
Exact Mass 254.141913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6yD0jp3zvIE
Name (1R,5S,12S)-12-Ethyl-3-oxo-1,2,3,4,5,6-hexahydro-1,5-methanoazocino[4,3-b]indole isomer
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Formula C16H18N2O
InChI InChI=1S/C16H18N2O/c1-2-13-11-8-12-7-10-5-3-4-6-14(10)18(12)16(13)17-15(19)9-11/h3-7,11,13,16H,2,8-9H2,1H3,(H,17,19)/t11-,13+,16-/m0/s1
InChIKey SRDPXNRMNKYBOZ-NXLBOVRGSA-N
Molecular Weight 254.333 g/mol
SMILES N1C(C[C@@]2(Cc3[n]([C@]1([C@@]2(CC)[H])[H])c1c(c3)cccc1)[H])=O
SPLASH splash10-001i-0910000000-e48eaedf25b04ddcad06
Source of Spectrum F-69-8693-54
Wiley ID 1595936