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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8cpU3st9vEe
Name Hexanoyl-3-fluorofentanyl
Comments Computed using HOSE algorithm
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