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3-Oxo-16,17,20,21-tetrahydrosecodine ethyl ester

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

3-Oxo-16,17,20,21-tetrahydrosecodine ethyl ester
SpectraBase Compound ID EIcuO1F2Oya
InChI InChI=1S/C22H30N2O3/c1-4-16-10-11-20(25)24(14-16)13-12-18-17-8-6-7-9-19(17)23-21(18)15(3)22(26)27-5-2/h6-9,15-16,23H,4-5,10-14H2,1-3H3
InChIKey LJFLMTBWZHNTRN-UHFFFAOYSA-N
Mol Weight 370.49 g/mol
Molecular Formula C22H30N2O3
Exact Mass 370.225643 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2UR43aU0TPR
Name 3-oxo-16,17,20,21-Tetrahydrosecodine ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 370.225642831 u
Formula C22H30N2O3
InChI InChI=1S/C22H30N2O3/c1-4-16-10-11-20(25)24(14-16)13-12-18-17-8-6-7-9-19(17)23-21(18)15(3)22(26)27-5-2/h6-9,15-16,23H,4-5,10-14H2,1-3H3
InChIKey LJFLMTBWZHNTRN-UHFFFAOYSA-N
Molecular Weight 370.493 g/mol
SMILES C1(=C(C2=CC=CC=C2N1)CCN1C(=O)CCC(C1)CC)C(C(=O)OCC)C