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

*Links on SpectraBase are not permalinks.
1-Benzylpiperidin-4-yl heptafluorobutanoate
SpectraBase Compound ID JgJf5IuvJJZ
InChI InChI=1S/C16H16F7NO2/c17-14(18,15(19,20)16(21,22)23)13(25)26-12-6-8-24(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKey XJMWAHIBHXTZGM-UHFFFAOYSA-N
Mol Weight 387.3 g/mol
Molecular Formula C16H16F7NO2
Exact Mass 387.106926 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 2kc8bGF2hPc
Name 1-Benzylpiperidin-4-yl heptafluorobutanoate
Classification Fentanyl opioid side product derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 387.106925898 u
Formula C16H16F7NO2
InChI InChI=1S/C16H16F7NO2/c17-14(18,15(19,20)16(21,22)23)13(25)26-12-6-8-24(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKey XJMWAHIBHXTZGM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 387.298 g/mol
Nominal Mass 387 u
Quality 998
Retention Index 1624
SMILES C(C(C(F)(F)F)(F)F)(C(OC1CCN(CC=2C=CC=CC2)CC1)=O)(F)F
SPLASH splash10-0006-9402000000-b6e19ec3392329fe65f7
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Wiley ID DD2024_026723