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21-Oxo-15,16,17,18,19,20-hexadehydro-yohimban

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21-Oxo-15,16,17,18,19,20-hexadehydro-yohimban
SpectraBase Compound ID L1u86NANZ4S
InChI InChI=1S/C19H16N2O/c22-19-13-6-2-1-5-12(13)11-17-18-15(9-10-21(17)19)14-7-3-4-8-16(14)20-18/h1-8,17,20H,9-11H2/t17-/m1/s1
InChIKey JFYGOKQVGRLDGO-QGZVFWFLSA-N
Mol Weight 288.35 g/mol
Molecular Formula C19H16N2O
Exact Mass 288.126263 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GWFb960ZELY
Name 21-oxo-15,16,17,18,19,20-Hexadehydro-yohimban
Comments Computed using HOSE algorithm
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Exact Mass 288.126263142 u
Formula C19H16N2O
InChI InChI=1S/C19H16N2O/c22-19-13-6-2-1-5-12(13)11-17-18-15(9-10-21(17)19)14-7-3-4-8-16(14)20-18/h1-8,17,20H,9-11H2/t17-/m1/s1
InChIKey JFYGOKQVGRLDGO-QGZVFWFLSA-N
Molecular Weight 288.350 g/mol
SMILES C1=CC2=C(C=C1)NC1=C2CCN2[C@@]1(CC1=C(C2=O)C=CC=C1)[H]