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4-(4-Chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-alpha,alpha-diphenyl-4-hydroxy-N,N,beta-trimethyl-1-piperidinebutyramide, monohydrochloride

View entire compound with spectra: 1 FTIR, and 1 Raman

4-(4-Chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-alpha,alpha-diphenyl-4-hydroxy-N,N,beta-trimethyl-1-piperidinebutyramide, monohydrochloride
SpectraBase Compound ID EbFIquvXyHE
InChI InChI=1S/C31H34ClF3N2O2.ClH/c1-22(30(28(38)36(2)3,23-10-6-4-7-11-23)24-12-8-5-9-13-24)21-37-18-16-29(39,17-19-37)25-14-15-27(32)26(20-25)31(33,34)35;/h4-15,20,22,39H,16-19,21H2,1-3H3;1H
InChIKey OMRGKXJSYZGBJK-UHFFFAOYSA-N
Mol Weight 595.5 g/mol
Molecular Formula C31H35Cl2F3N2O2
Exact Mass 594.202768 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID A8wo4TYzEhG
Name 4-(4-Chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-alpha,alpha-diphenyl-4-hydroxy-N,N,beta-trimethyl-1-piperidinebutyramide, monohydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 594.202768262 u
Formula C31H35Cl2F3N2O2
InChI InChI=1S/C31H34ClF3N2O2.ClH/c1-22(30(28(38)36(2)3,23-10-6-4-7-11-23)24-12-8-5-9-13-24)21-37-18-16-29(39,17-19-37)25-14-15-27(32)26(20-25)31(33,34)35;/h4-15,20,22,39H,16-19,21H2,1-3H3;1H
InChIKey OMRGKXJSYZGBJK-UHFFFAOYSA-N
Molecular Weight 595.534 g/mol
SMILES OC1(CCN(CC1)CC(C(C(N(C)C)=O)(C=1C=CC=CC1)C=1C=CC=CC1)C)C=1C=CC(=C(C1)C(F)(F)F)Cl.Cl
Spectrum/Structure Validation Score (Raman) 0.939791