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(Octahydroquinolizin-1-yl)methyl 2,4,6-trimethylbenzoate

View entire compound with spectra: 1 NMR, and 2 MS (GC)

(Octahydroquinolizin-1-yl)methyl 2,4,6-trimethylbenzoate
SpectraBase Compound ID HvSdYus2Lqb
InChI InChI=1S/C20H29NO2/c1-14-11-15(2)19(16(3)12-14)20(22)23-13-17-7-6-10-21-9-5-4-8-18(17)21/h11-12,17-18H,4-10,13H2,1-3H3
InChIKey XKNGNLUBHDCEQV-UHFFFAOYSA-N
Mol Weight 315.46 g/mol
Molecular Formula C20H29NO2
Exact Mass 315.219829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6cHM3FE2Hhu
Name (Octahydroquinolizin-1-yl)methyl 2,4,6-trimethylbenzoate
Comments Computed using HOSE algorithm
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Exact Mass 315.219829176 u
Formula C20H29NO2
InChI InChI=1S/C20H29NO2/c1-14-11-15(2)19(16(3)12-14)20(22)23-13-17-7-6-10-21-9-5-4-8-18(17)21/h11-12,17-18H,4-10,13H2,1-3H3
InChIKey XKNGNLUBHDCEQV-UHFFFAOYSA-N
Molecular Weight 315.457 g/mol
SMILES C1=C(C(=C(C=C1C)C)C(OCC1C2N(CCC1)CCCC2)=O)C