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1,14-Secoeburnamenine-14-carboxylic acid, 14,15-dihydro-, methyl ester, (.+-.)-

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

1,14-Secoeburnamenine-14-carboxylic acid, 14,15-dihydro-, methyl ester, (.+-.)-
SpectraBase Compound ID 17MctMfObnL
InChI InChI=1S/C21H28N2O2/c1-3-14(21(24)25-2)13-15-7-6-11-23-12-10-17-16-8-4-5-9-18(16)22-19(17)20(15)23/h4-5,8-9,14-15,20,22H,3,6-7,10-13H2,1-2H3/t14?,15-,20?/m0/s1
InChIKey KQDFOGVDKHBHOW-CHWWFWEZSA-N
Mol Weight 340.47 g/mol
Molecular Formula C21H28N2O2
Exact Mass 340.215078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FKWMHMjJ4vu
Name 1,14-Secoeburnamenine-14-carboxylic acid, 14,15-dihydro-, methyl ester, (.+-.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.215078148 u
Formula C21H28N2O2
InChI InChI=1S/C21H28N2O2/c1-3-14(21(24)25-2)13-15-7-6-11-23-12-10-17-16-8-4-5-9-18(16)22-19(17)20(15)23/h4-5,8-9,14-15,20,22H,3,6-7,10-13H2,1-2H3/t14?,15-,20?/m0/s1
InChIKey KQDFOGVDKHBHOW-CHWWFWEZSA-N
Molecular Weight 340.467 g/mol
SMILES C12=C(C=3C=CC=CC3N2)CCN2C1[C@](CC(C(=O)OC)CC)(CCC2)[H]