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3-(Cyclopentylmethyl)-1,2,3,4,5,6-hexahydro-6,9,11-trimethyl-2,6-methano-3-benzazocin-8-ol, hydrochloride

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

3-(Cyclopentylmethyl)-1,2,3,4,5,6-hexahydro-6,9,11-trimethyl-2,6-methano-3-benzazocin-8-ol, hydrochloride
SpectraBase Compound ID 4sYFeOQYVZP
InChI InChI=1S/C21H31NO.ClH/c1-14-10-17-11-19-15(2)21(3,18(17)12-20(14)23)8-9-22(19)13-16-6-4-5-7-16;/h10,12,15-16,19,23H,4-9,11,13H2,1-3H3;1H
InChIKey WEPOMAWPCNTABL-UHFFFAOYSA-N
Mol Weight 349.95 g/mol
Molecular Formula C21H32ClNO
Exact Mass 349.217242 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID AcfDVRQroJp
Name 3-(Cyclopentylmethyl)-1,2,3,4,5,6-hexahydro-6,9,11-trimethyl-2,6-methano-3-benzazocin-8-ol, hydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 349.217242353 u
Formula C21H32ClNO
InChI InChI=1S/C21H31NO.ClH/c1-14-10-17-11-19-15(2)21(3,18(17)12-20(14)23)8-9-22(19)13-16-6-4-5-7-16;/h10,12,15-16,19,23H,4-9,11,13H2,1-3H3;1H
InChIKey WEPOMAWPCNTABL-UHFFFAOYSA-N
SMILES Cl.OC1=CC2=C(C=C1C)CC1N(CCC2(C1C)C)CC1CCCC1
Spectrum/Structure Validation Score (Raman) 0.984443