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(2S,3R,4R,5R)-1-Benzyl-5-chloro-3-nitro-2,4-diphenylpiperidine
SpectraBase Compound ID IfHuPja2AOu
InChI InChI=1S/C24H23ClN2O2/c25-21-17-26(16-18-10-4-1-5-11-18)23(20-14-8-3-9-15-20)24(27(28)29)22(21)19-12-6-2-7-13-19/h1-15,21-24H,16-17H2/t21-,22-,23-,24+/m0/s1
InChIKey IZGVFOSIFQAXPN-NEWJYFPISA-N
Mol Weight 406.91 g/mol
Molecular Formula C24H23ClN2O2
Exact Mass 406.144806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID yP3ndfE0FT
Name (2S,3R,4R,5R)-1-Benzyl-5-chloro-3-nitro-2,4-diphenylpiperidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H23ClN2O2
InChI InChI=1S/C24H23ClN2O2/c25-21-17-26(16-18-10-4-1-5-11-18)23(20-14-8-3-9-15-20)24(27(28)29)22(21)19-12-6-2-7-13-19/h1-15,21-24H,16-17H2/t21-,22-,23-,24+/m0/s1
InChIKey IZGVFOSIFQAXPN-NEWJYFPISA-N
Literature Reference DOI 10.1002/adsc.201400563
Molecular Weight 406.913 g/mol
SMILES [C@]1([C@](c2ccccc2)(N(C[C@](Cl)([C@@]1(c1ccccc1)[H])[H])Cc1ccccc1)[H])([N+](=O)[O-])[H]
SPLASH splash10-01ox-4409000000-67c6eeb8ec77a4f99313
Source of Spectrum ASC-356-3861/SM9-23a
Wiley ID 1769776