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3-[(3S)-1-propyl-3-piperidinyl]benzoic acid methyl ester

View entire compound with spectra: 1 MS (GC)

3-[(3S)-1-propyl-3-piperidinyl]benzoic acid methyl ester
SpectraBase Compound ID FAGgEmBzwbD
InChI InChI=1S/C16H23NO2/c1-3-9-17-10-5-8-15(12-17)13-6-4-7-14(11-13)16(18)19-2/h4,6-7,11,15H,3,5,8-10,12H2,1-2H3/t15-/m1/s1
InChIKey ZWNHEPFDYRKYSD-OAHLLOKOSA-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 HBgEA3DY0Hs
Name 3-[(3S)-1-propyl-3-piperidinyl]benzoic acid methyl ester
Alternate Name(s) 3-[(3S)-1-propyl-3-piperidyl]benzoic acid methyl ester Methyl 3-[(3S)-1-propyl-3-piperidyl]benzoate Methyl 3-[(3S)-1-propylpiperidin-3-yl]benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23NO2
InChI InChI=1S/C16H23NO2/c1-3-9-17-10-5-8-15(12-17)13-6-4-7-14(11-13)16(18)19-2/h4,6-7,11,15H,3,5,8-10,12H2,1-2H3/t15-/m1/s1
InChIKey ZWNHEPFDYRKYSD-OAHLLOKOSA-N
Molecular Weight 261.365 g/mol
SMILES C(c1cc([C@]2(CN(CCC)CCC2)[H])ccc1)(=O)OC
SPLASH splash10-001i-0090000000-7adb58b50185ffc07db6
Source of Spectrum E1-37-2746-7
Wiley ID 1575206