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Benzoyl fentanyl hydrochloride

View entire compound with spectra: 1 Raman

Benzoyl fentanyl hydrochloride
SpectraBase Compound ID EnwnPX1rmXV
InChI InChI=1S/C26H28N2O.ClH/c29-26(23-12-6-2-7-13-23)28(24-14-8-3-9-15-24)25-17-20-27(21-18-25)19-16-22-10-4-1-5-11-22;/h1-15,25H,16-21H2;1H
InChIKey PYWWOIUJVDWUNW-UHFFFAOYSA-N
Mol Weight 420.98 g/mol
Molecular Formula C26H29ClN2O
Exact Mass 420.196841 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 1JBe2NCsMmi
Name Benzoyl fentanyl hydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.196841261 u
Formula C26H29ClN2O
InChI InChI=1S/C26H28N2O.ClH/c29-26(23-12-6-2-7-13-23)28(24-14-8-3-9-15-24)25-17-20-27(21-18-25)19-16-22-10-4-1-5-11-22;/h1-15,25H,16-21H2;1H
InChIKey PYWWOIUJVDWUNW-UHFFFAOYSA-N
Molecular Weight 420.984 g/mol
SMILES C=1C(=CC=CC1)CCN1CCC(CC1)N(C=1C=CC=CC1)C(C=1C=CC=CC1)=O.Cl
Spectrum/Structure Validation Score (Raman) 0.922177