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1-(2-Chlorophenyl)-N-(1-[4-(2,2-difluoroethoxy)-3,5-dimethoxyphenyl]propan-2-yl)methanimine
SpectraBase Compound ID AX6vMDGfu3B
InChI InChI=1S/C20H22ClF2NO3/c1-13(24-11-15-6-4-5-7-16(15)21)8-14-9-17(25-2)20(18(10-14)26-3)27-12-19(22)23/h4-7,9-11,13,19H,8,12H2,1-3H3/b24-11+
InChIKey YSSBWLJGMMUWGN-BHGWPJFGSA-N
Mol Weight 397.85 g/mol
Molecular Formula C20H22ClF2NO3
Exact Mass 397.125628 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8IUEsaPdYXY
Name 1-(2-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(24-11-15-6-4-5-7-16(15)21)8-14-9-17(25-2)20(18(10-14)26-3)27-12-19(22)23/h4-7,9-11,13,19H,8,12H2,1-3H3/b24-11+
InChIKey YSSBWLJGMMUWGN-BHGWPJFGSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 397.850 g/mol
Nominal Mass 397 u
Quality 937
Retention Index 2409
SMILES C1(=C(C=C(C=C1OC)CC(\N=C\C=1C(=CC=CC1)Cl)C)OC)OCC(F)F
SPLASH splash10-014i-1900000000-bcb5251fe723fb3b3c33
Sample Comments cis/trans isomerism uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (1E)-(2-chlorophenyl)-N-(1-(4-(2,2-difluoroethoxy)-3,5-dimethoxyphenyl)propan-2-yl)methanimine
Technique GC/MS
Wiley ID DD2024_020627