For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Hexanoyl-3-fluorofentanyl

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

Hexanoyl-3-fluorofentanyl
SpectraBase Compound ID 1TtZgPt0bbq
InChI InChI=1S/C25H33FN2O/c1-2-3-5-13-25(29)28(24-12-8-11-22(26)20-24)23-15-18-27(19-16-23)17-14-21-9-6-4-7-10-21/h4,6-12,20,23H,2-3,5,13-19H2,1H3
InChIKey KQGPOZPDQXTHSG-UHFFFAOYSA-N
Mol Weight 396.6 g/mol
Molecular Formula C25H33FN2O
Exact Mass 396.257692 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3YPxtP2xDjw
Name Hexanoyl-3-fluorofentanyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.257691853 u
Formula C25H33FN2O
InChI InChI=1S/C25H33FN2O/c1-2-3-5-13-25(29)28(24-12-8-11-22(26)20-24)23-15-18-27(19-16-23)17-14-21-9-6-4-7-10-21/h4,6-12,20,23H,2-3,5,13-19H2,1H3
InChIKey KQGPOZPDQXTHSG-UHFFFAOYSA-N
Molecular Weight 396.550 g/mol
SMILES C1(N(C2=CC(=CC=C2)F)C(CCCCC)=O)CCN(CC1)CCC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.927563