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(-)-N-(methoxymethyl)-16,17-didehydroalloyohimban

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

(-)-N-(methoxymethyl)-16,17-didehydroalloyohimban
SpectraBase Compound ID ICDDruTt6Fz
InChI InChI=1S/C21H26N2O/c1-24-14-23-19-9-5-4-8-17(19)18-10-11-22-13-16-7-3-2-6-15(16)12-20(22)21(18)23/h2,4-6,8-9,15-16,20H,3,7,10-14H2,1H3/t15-,16+,20-/m0/s1
InChIKey DDTJDZKMMVHNLV-YRNRMSPPSA-N
Mol Weight 322.45 g/mol
Molecular Formula C21H26N2O
Exact Mass 322.204513 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Q29R1BA2QN
Name (-)-N-(methoxymethyl)-16,17-didehydroalloyohimban
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.204513464 u
Formula C21H26N2O
InChI InChI=1S/C21H26N2O/c1-24-14-23-19-9-5-4-8-17(19)18-10-11-22-13-16-7-3-2-6-15(16)12-20(22)21(18)23/h2,4-6,8-9,15-16,20H,3,7,10-14H2,1H3/t15-,16+,20-/m0/s1
InChIKey DDTJDZKMMVHNLV-YRNRMSPPSA-N
Molecular Weight 322.452 g/mol
SMILES C1=2N(C3=CC=CC=C3C2CCN2[C@]1(C[C@]1([C@@](CCC=C1)([H])C2)[H])[H])COC