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Oxayohimban-19-one, 16-ethylidene-, (16Z)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Oxayohimban-19-one, 16-ethylidene-, (16Z)-
SpectraBase Compound ID CLvEkImLXTa
InChI InChI=1S/C20H22N2O2/c1-2-12-11-24-20(23)16-10-22-8-7-14-13-5-3-4-6-17(13)21-19(14)18(22)9-15(12)16/h2-6,15-16,18,21H,7-11H2,1H3/b12-2+
InChIKey FTHVOOVSVCXYKH-SWGQDTFXSA-N
Mol Weight 322.41 g/mol
Molecular Formula C20H22N2O2
Exact Mass 322.168128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C5fbZNk30rf
Name Oxayohimban-19-one, 16-ethylidene-, (16Z)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.168127954 u
Formula C20H22N2O2
InChI InChI=1S/C20H22N2O2/c1-2-12-11-24-20(23)16-10-22-8-7-14-13-5-3-4-6-17(13)21-19(14)18(22)9-15(12)16/h2-6,15-16,18,21H,7-11H2,1H3/b12-2+
InChIKey FTHVOOVSVCXYKH-SWGQDTFXSA-N
Molecular Weight 322.408 g/mol
SMILES C\C=C\1C2CC3C4=C(C5=CC=CC=C5N4)CCN3CC2C(OC1)=O