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1-Benzyl-2-[(diethylamino)methyl]-3,5,5-trimethylcyclohexanol, hydrochloride

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

1-Benzyl-2-[(diethylamino)methyl]-3,5,5-trimethylcyclohexanol, hydrochloride
SpectraBase Compound ID KgPUHasFI7r
InChI InChI=1S/C21H35NO.ClH/c1-6-22(7-2)15-19-17(3)13-20(4,5)16-21(19,23)14-18-11-9-8-10-12-18;/h8-12,17,19,23H,6-7,13-16H2,1-5H3;1H
InChIKey XJUKBUOXZNSFKT-UHFFFAOYSA-N
Mol Weight 353.98 g/mol
Molecular Formula C21H36ClNO
Exact Mass 353.248542 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 91hLYuaqhKr
Name 1-Benzyl-2-[(diethylamino)methyl]-3,5,5-trimethylcyclohexanol, hydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.248542482 u
Formula C21H36ClNO
InChI InChI=1S/C21H35NO.ClH/c1-6-22(7-2)15-19-17(3)13-20(4,5)16-21(19,23)14-18-11-9-8-10-12-18;/h8-12,17,19,23H,6-7,13-16H2,1-5H3;1H
InChIKey XJUKBUOXZNSFKT-UHFFFAOYSA-N
SMILES Cl.OC1(CC(CC(C1CN(CC)CC)C)(C)C)CC=1C=CC=CC1
Spectrum/Structure Validation Score (Raman) 0.971523