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

*Links on SpectraBase are not permalinks.
1-(4-Chlorophenyl)-N-(1-[4-(2,2-difluoroethoxy)-3,5-dimethoxyphenyl]propan-2-yl)methanimine
SpectraBase Compound ID Ine5oexE3Ow
InChI InChI=1S/C20H22ClF2NO3/c1-13(24-11-14-4-6-16(21)7-5-14)8-15-9-17(25-2)20(18(10-15)26-3)27-12-19(22)23/h4-7,9-11,13,19H,8,12H2,1-3H3/b24-11+
InChIKey PCSLWXLESMUKIO-BHGWPJFGSA-N
Mol Weight 397.85 g/mol
Molecular Formula C20H22ClF2NO3
Exact Mass 397.125628 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 JFoKz2ulsbg
Name 1-(4-Chlorophenyl)-N-(1-[4-(2,2-difluoroethoxy)-3,5-dimethoxyphenyl]propan-2-yl)methanimine
Classification Designer drug artifact
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 397.125627595 u
Formula C20H22ClF2NO3
InChI InChI=1S/C20H22ClF2NO3/c1-13(24-11-14-4-6-16(21)7-5-14)8-15-9-17(25-2)20(18(10-15)26-3)27-12-19(22)23/h4-7,9-11,13,19H,8,12H2,1-3H3/b24-11+
InChIKey PCSLWXLESMUKIO-BHGWPJFGSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 397.850 g/mol
Nominal Mass 397 u
Quality 913
Retention Index 2445
SMILES C1(=C(C=C(C=C1OC)CC(\N=C\C=1C=CC(=CC1)Cl)C)OC)OCC(F)F
SPLASH splash10-014i-1900000000-3f7cfc3f644b12ea4f89
Sample Comments cis/trans isomerism uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (4-chlorophenyl)-N-(1-(4-(2,2-difluoroethoxy)-3,5-dimethoxyphenyl)propan-2-yl)methanimine
Technique GC/MS
Wiley ID DD2024_020695