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Lupanine, 13-hydroxy-, benzoate

View entire compound with spectra: 1 NMR, and 1 FTIR

Lupanine, 13-hydroxy-, benzoate
SpectraBase Compound ID 2Hx08pu99Y5
InChI InChI=1S/C22H28N2O3/c25-21-8-4-7-19-16-11-17(14-24(19)21)20-12-18(9-10-23(20)13-16)27-22(26)15-5-2-1-3-6-15/h1-3,5-6,16-20H,4,7-14H2
InChIKey QFVFKNNOHLGRBN-UHFFFAOYSA-N
Mol Weight 368.48 g/mol
Molecular Formula C22H28N2O3
Exact Mass 368.209993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6PV9L4v1NEj
Name Lupanine, 13-hydroxy-, benzoate
Comments Computed using HOSE algorithm
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Exact Mass 368.209992767 u
Formula C22H28N2O3
InChI InChI=1S/C22H28N2O3/c25-21-8-4-7-19-16-11-17(14-24(19)21)20-12-18(9-10-23(20)13-16)27-22(26)15-5-2-1-3-6-15/h1-3,5-6,16-20H,4,7-14H2
InChIKey QFVFKNNOHLGRBN-UHFFFAOYSA-N
Molecular Weight 368.477 g/mol
SMILES C12N(CC3C4N(CC2C3)C(CCC4)=O)CCC(C1)OC(C1=CC=CC=C1)=O