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1-(2-Phenylethyl)piperidin-4-yl-4-butyl benzoate

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

1-(2-Phenylethyl)piperidin-4-yl-4-butyl benzoate
SpectraBase Compound ID 2saMiDjKAVx
InChI InChI=1S/C24H31NO2/c1-2-3-7-21-10-12-22(13-11-21)24(26)27-23-15-18-25(19-16-23)17-14-20-8-5-4-6-9-20/h4-6,8-13,23H,2-3,7,14-19H2,1H3
InChIKey KRNJJFODKSCPAB-UHFFFAOYSA-N
Mol Weight 365.52 g/mol
Molecular Formula C24H31NO2
Exact Mass 365.235479 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AI3ktDizsLn
Name 1-(2-Phenylethyl)piperidin-4-yl-4-butyl benzoate
Comments Computed using HOSE algorithm
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Exact Mass 365.235479240 u
Formula C24H31NO2
InChI InChI=1S/C24H31NO2/c1-2-3-7-21-10-12-22(13-11-21)24(26)27-23-15-18-25(19-16-23)17-14-20-8-5-4-6-9-20/h4-6,8-13,23H,2-3,7,14-19H2,1H3
InChIKey KRNJJFODKSCPAB-UHFFFAOYSA-N
Molecular Weight 365.517 g/mol
SMILES C=1(C(OC2CCN(CC2)CCC2=CC=CC=C2)=O)C=CC(=CC1)CCCC