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Benzoylbenzyl fentanyl hydrochloride

View entire compound with spectra: 1 Raman

Benzoylbenzyl fentanyl hydrochloride
SpectraBase Compound ID 5jSSdVE1fcD
InChI InChI=1S/C25H26N2O.ClH/c28-25(22-12-6-2-7-13-22)27(23-14-8-3-9-15-23)24-16-18-26(19-17-24)20-21-10-4-1-5-11-21;/h1-15,24H,16-20H2;1H
InChIKey YMRHBLUJXGRGNP-UHFFFAOYSA-N
Mol Weight 406.96 g/mol
Molecular Formula C25H27ClN2O
Exact Mass 406.181191 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID BDk8oS8YqH1
Name Benzoylbenzyl fentanyl hydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.181191196 u
Formula C25H27ClN2O
InChI InChI=1S/C25H26N2O.ClH/c28-25(22-12-6-2-7-13-22)27(23-14-8-3-9-15-23)24-16-18-26(19-17-24)20-21-10-4-1-5-11-21;/h1-15,24H,16-20H2;1H
InChIKey YMRHBLUJXGRGNP-UHFFFAOYSA-N
Molecular Weight 406.957 g/mol
SMILES Cl.C1=C(C=CC=C1)CN1CCC(CC1)N(C=1C=CC=CC1)C(C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Raman) 0.942394