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Ortho-fluorobutyryl fentanyl hydrochloride

View entire compound with spectra: 1 Raman

Ortho-fluorobutyryl fentanyl hydrochloride
SpectraBase Compound ID Cz3SLDifBMG
InChI InChI=1S/C23H29FN2O.ClH/c1-2-8-23(27)26(22-12-7-6-11-21(22)24)20-14-17-25(18-15-20)16-13-19-9-4-3-5-10-19;/h3-7,9-12,20H,2,8,13-18H2,1H3;1H
InChIKey ISZKXYHIISLHEJ-UHFFFAOYSA-N
Mol Weight 404.96 g/mol
Molecular Formula C23H30ClFN2O
Exact Mass 404.203069 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID BlqComDjj8r
Name Ortho-fluorobutyryl fentanyl hydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.203069456 u
Formula C23H30ClFN2O
InChI InChI=1S/C23H29FN2O.ClH/c1-2-8-23(27)26(22-12-7-6-11-21(22)24)20-14-17-25(18-15-20)16-13-19-9-4-3-5-10-19;/h3-7,9-12,20H,2,8,13-18H2,1H3;1H
InChIKey ISZKXYHIISLHEJ-UHFFFAOYSA-N
Molecular Weight 404.957 g/mol
SMILES C=1C(=CC=CC1)CCN1CCC(CC1)N(C=1C(=CC=CC1)F)C(CCC)=O.Cl
Spectrum/Structure Validation Score (Raman) 0.994017