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(3S,4S)-4-(4-ethylphenyl)-1-methyl-3-piperidinecarboxylic acid methyl ester
SpectraBase Compound ID LGIaylMKOVt
InChI InChI=1S/C16H23NO2/c1-4-12-5-7-13(8-6-12)14-9-10-17(2)11-15(14)16(18)19-3/h5-8,14-15H,4,9-11H2,1-3H3/t14-,15-/m1/s1
InChIKey PVNKREHVUHDWNO-HUUCEWRRSA-N
Mol Weight 261.36 g/mol
Molecular Formula C16H23NO2
Exact Mass 261.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7vWhA8amktN
Name (3S,4S)-4-(4-ethylphenyl)-1-methyl-3-piperidinecarboxylic acid methyl ester
Alternate Name(s) (3S,4S)-4-(4-ethylphenyl)-1-methyl-nipecotic acid methyl ester Methyl (3S,4S)-4-(4-ethylphenyl)-1-methyl-piperidine-3-carboxylate
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Formula C16H23NO2
InChI InChI=1S/C16H23NO2/c1-4-12-5-7-13(8-6-12)14-9-10-17(2)11-15(14)16(18)19-3/h5-8,14-15H,4,9-11H2,1-3H3/t14-,15-/m1/s1
InChIKey PVNKREHVUHDWNO-HUUCEWRRSA-N
Molecular Weight 261.365 g/mol
SMILES C1N(CC[C@@]([C@@]1(C(=O)OC)[H])(c1ccc(cc1)CC)[H])C
SPLASH splash10-00dl-9020000000-fe3344b99b57fa14daf2
Source of Spectrum F2-43-1221-15
Wiley ID 1600582