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Heptanoyl fentanyl hydrochloride

View entire compound with spectra: 1 Raman

Heptanoyl fentanyl hydrochloride
SpectraBase Compound ID JbjBfypb09F
InChI InChI=1S/C26H36N2O.ClH/c1-2-3-4-11-16-26(29)28(24-14-9-6-10-15-24)25-18-21-27(22-19-25)20-17-23-12-7-5-8-13-23;/h5-10,12-15,25H,2-4,11,16-22H2,1H3;1H
InChIKey GPBMPZKILCTIGL-UHFFFAOYSA-N
Mol Weight 429.05 g/mol
Molecular Formula C26H37ClN2O
Exact Mass 428.259442 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 2c0oDfAeDCr
Name Heptanoyl fentanyl hydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.259441518 u
Formula C26H37ClN2O
InChI InChI=1S/C26H36N2O.ClH/c1-2-3-4-11-16-26(29)28(24-14-9-6-10-15-24)25-18-21-27(22-19-25)20-17-23-12-7-5-8-13-23;/h5-10,12-15,25H,2-4,11,16-22H2,1H3;1H
InChIKey GPBMPZKILCTIGL-UHFFFAOYSA-N
Molecular Weight 429.048 g/mol
SMILES C=1C(=CC=CC1)CCN1CCC(CC1)N(C=1C=CC=CC1)C(CCCCCC)=O.Cl
Spectrum/Structure Validation Score (Raman) 0.975904