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Spiro[cyclohexanol-5,6'-piperidin-2'-one], 6-butyl, benzyl ether
SpectraBase Compound ID FACJxB1vNqB
InChI InChI=1S/C21H31NO2/c1-2-3-11-18-19(24-16-17-9-5-4-6-10-17)12-7-14-21(18)15-8-13-20(23)22-21/h4-6,9-10,18-19H,2-3,7-8,11-16H2,1H3,(H,22,23)/t18-,19-,21-/m0/s1
InChIKey ABGGNNPIBHXWKB-ZJOUEHCJSA-N
Mol Weight 329.48 g/mol
Molecular Formula C21H31NO2
Exact Mass 329.235479 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6aKSwdU0hDG
Name Spiro[cyclohexanol-5,6'-piperidin-2'-one], 6-butyl, benzyl ether
Comments Computed using HOSE algorithm
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Exact Mass 329.235479240 u
Formula C21H31NO2
InChI InChI=1S/C21H31NO2/c1-2-3-11-18-19(24-16-17-9-5-4-6-10-17)12-7-14-21(18)15-8-13-20(23)22-21/h4-6,9-10,18-19H,2-3,7-8,11-16H2,1H3,(H,22,23)/t18-,19-,21-/m0/s1
InChIKey ABGGNNPIBHXWKB-ZJOUEHCJSA-N
Molecular Weight 329.484 g/mol
SMILES [C@]12([C@]([C@@](OCC3=CC=CC=C3)(CCC1)[H])(CCCC)[H])NC(CCC2)=O