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(R)-(-)-Phenylpiperidin-1'-yl-acetic acid 2''-piperidin-1'''-yl-ethyl ester dihydrochloride
SpectraBase Compound ID KsiGZEiYZVS
InChI InChI=1S/C20H30N2O2.2Cl/c23-20(24-17-16-21-12-6-2-7-13-21)19(18-10-4-1-5-11-18)22-14-8-3-9-15-22;;/h1,4-5,10-11,19H,2-3,6-9,12-17H2;;/t19-;;/m1../s1
InChIKey GBXPUENFJUDPJJ-JQDLGSOUSA-N
Mol Weight 401.38 g/mol
Molecular Formula C20H30Cl2N2O2
Exact Mass 400.168434 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A1F76vjRijW
Name (R)-(-)-Phenylpiperidin-1'-yl-acetic acid 2''-piperidin-1'''-yl-ethyl ester dihydrochloride
Appearance White solid
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Formula C20H30Cl2N2O2
InChI InChI=1S/C20H30N2O2.2Cl/c23-20(24-17-16-21-12-6-2-7-13-21)19(18-10-4-1-5-11-18)22-14-8-3-9-15-22;;/h1,4-5,10-11,19H,2-3,6-9,12-17H2;;/t19-;;/m1../s1
InChIKey GBXPUENFJUDPJJ-JQDLGSOUSA-N
Instrument Name JEOL JEM-AX505HA
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.b07
Molecular Weight 401.378 g/mol
Optical Rotation [a]D20 = -48.8 (c = 1.0, CH2Cl2)
Quality 27
Reported Formula C20H30N2O2
SMILES [Cl].[C@](C(=O)OCCN1CCCCC1)(N1CCCCC1)(C1=CC=CC=C1)[H].[Cl]
SPLASH splash10-03k9-0911000000-ddd3a7e234190f234058
Source of Spectrum ARK-2003-60-7 (DOI: 10.3998/ark.5550190.0004.b07)
Wiley ID 1899741