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

*Links on SpectraBase are not permalinks.

N-(DOC) Fentanyl

View entire compound with spectra: 1 MS (GC)

N-(DOC) Fentanyl
SpectraBase Compound ID HSPRwmiWipx
InChI InChI=1S/C25H33ClN2O3/c1-5-25(29)28(20-9-7-6-8-10-20)21-11-13-27(14-12-21)18(2)15-19-16-24(31-4)22(26)17-23(19)30-3/h6-10,16-18,21H,5,11-15H2,1-4H3
InChIKey MYUPALHKQYRWHK-UHFFFAOYSA-N
Mol Weight 445.0 g/mol
Molecular Formula C25H33ClN2O3
Exact Mass 444.217971 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 71GvjsYgwJ3
Name N-(DOC) Fentanyl
Catalog Number 28988
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H33ClN2O3
InChI InChI=1S/C25H33ClN2O3/c1-5-25(29)28(20-9-7-6-8-10-20)21-11-13-27(14-12-21)18(2)15-19-16-24(31-4)22(26)17-23(19)30-3/h6-10,16-18,21H,5,11-15H2,1-4H3
InChIKey MYUPALHKQYRWHK-UHFFFAOYSA-N
Molecular Weight 445.003 g/mol
SMILES CCC(N(c1ccccc1)C1CCN(C(C)Cc2c(OC)cc(Cl)c(OC)c2)CC1)=O
SPLASH splash10-0a4i-3590000000-a85817df9bbdf06b8441
Source of Spectrum CAY-2023-331-0
Wiley ID 1888297