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4-Methylbenzoic acid, (octahydroquinolizin-1-yl)methyl ester
SpectraBase Compound ID CrMTXISAK97
InChI InChI=1S/C18H25NO2/c1-14-7-9-15(10-8-14)18(20)21-13-16-5-4-12-19-11-3-2-6-17(16)19/h7-10,16-17H,2-6,11-13H2,1H3
InChIKey YTVGUBSDSFLWKV-UHFFFAOYSA-N
Mol Weight 287.4 g/mol
Molecular Formula C18H25NO2
Exact Mass 287.188529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cej7sErxhYC
Name 4-Methylbenzoic acid, (octahydroquinolizin-1-yl)methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 287.188529047 u
Formula C18H25NO2
InChI InChI=1S/C18H25NO2/c1-14-7-9-15(10-8-14)18(20)21-13-16-5-4-12-19-11-3-2-6-17(16)19/h7-10,16-17H,2-6,11-13H2,1H3
InChIKey YTVGUBSDSFLWKV-UHFFFAOYSA-N
Molecular Weight 287.403 g/mol
SMILES C1CCN2C(C1)C(COC(=O)C=1C=CC(C)=CC1)CCC2