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para-Fluorobutyryl fentanyl

View entire compound with spectra: 1 FTIR, 1 Raman, and 5 MS (GC)

para-Fluorobutyryl fentanyl
SpectraBase Compound ID IZudMYATNmD
InChI InChI=1S/C23H29FN2O/c1-2-6-23(27)26(21-11-9-20(24)10-12-21)22-14-17-25(18-15-22)16-13-19-7-4-3-5-8-19/h3-5,7-12,22H,2,6,13-18H2,1H3
InChIKey QZFMCYUBPSLOBP-UHFFFAOYSA-N
Mol Weight 368.5 g/mol
Molecular Formula C23H29FN2O
Exact Mass 368.226392 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID Gj8jmrZlcZU
Name para-Fluorobutyryl fentanyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 368.226391724 u
Formula C23H29FN2O
InChI InChI=1S/C23H29FN2O/c1-2-6-23(27)26(21-11-9-20(24)10-12-21)22-14-17-25(18-15-22)16-13-19-7-4-3-5-8-19/h3-5,7-12,22H,2,6,13-18H2,1H3
InChIKey QZFMCYUBPSLOBP-UHFFFAOYSA-N
Molecular Weight 368.496 g/mol
SMILES C1=CC(=CC=C1N(C1CCN(CC1)CCC=1C=CC=CC1)C(CCC)=O)F
Spectrum/Structure Validation Score (Raman) 0.982007