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(2R,1''S)-(-)-Phenyl-N-(1''-phenylethyl)-2-piperidin-1'-yl-acetamide
SpectraBase Compound ID KRRS0c1c4e2
InChI InChI=1S/C21H26N2O/c1-17(18-11-5-2-6-12-18)22-21(24)20(19-13-7-3-8-14-19)23-15-9-4-10-16-23/h2-3,5-8,11-14,17,20H,4,9-10,15-16H2,1H3,(H,22,24)/t17-,20+/m0/s1
InChIKey NZOXCQVQTJEKFP-FXAWDEMLSA-N
Mol Weight 322.45 g/mol
Molecular Formula C21H26N2O
Exact Mass 322.204513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ky9YLu9PYjh
Name (2R,1''S)-(-)-Phenyl-N-(1''-phenylethyl)-2-piperidin-1'-yl-acetamide
Appearance Colorless oil
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.204513464 u
Formula C21H26N2O
InChI InChI=1S/C21H26N2O/c1-17(18-11-5-2-6-12-18)22-21(24)20(19-13-7-3-8-14-19)23-15-9-4-10-16-23/h2-3,5-8,11-14,17,20H,4,9-10,15-16H2,1H3,(H,22,24)/t17-,20+/m0/s1
InChIKey NZOXCQVQTJEKFP-FXAWDEMLSA-N
Instrument Name JEOL JEM-AX505HA
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.b07
Optical Rotation [a]D20 = -81.5 (c = 1.0, CH2Cl2)
Quality 19
Reported Formula C21H26N2O
SMILES N(C([C@](N1CCCCC1)(C1=CC=CC=C1)[H])=O)[C@](C1=CC=CC=C1)(C)[H]
SPLASH splash10-00di-0900000000-8fb48030280a96453e44
Source of Spectrum ARK-2003-59-3 (DOI: 10.3998/ark.5550190.0004.b07)
Wiley ID 1899739