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3-Formyl-1-[2-[N'-(4-chlorophenyl)-N'-methylaminomethyl]-4-methylphenyl]tetrahydro-1H-azepine
SpectraBase Compound ID 8KppfafZKZ
InChI InChI=1S/C22H25ClN2O/c1-17-6-11-22(25-12-4-3-5-18(14-25)16-26)19(13-17)15-24(2)21-9-7-20(23)8-10-21/h6-11,13-14,16H,3-5,12,15H2,1-2H3
InChIKey YCXOLMTUIGUALB-UHFFFAOYSA-N
Mol Weight 368.91 g/mol
Molecular Formula C22H25ClN2O
Exact Mass 368.165541 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1GWrlieLZkh
Name 3-Formyl-1-[2-[N'-(4-chlorophenyl)-N'-methylaminomethyl]-4-methylphenyl]tetrahydro-1H-azepine
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Formula C22H25ClN2O
InChI InChI=1S/C22H25ClN2O/c1-17-6-11-22(25-12-4-3-5-18(14-25)16-26)19(13-17)15-24(2)21-9-7-20(23)8-10-21/h6-11,13-14,16H,3-5,12,15H2,1-2H3
InChIKey YCXOLMTUIGUALB-UHFFFAOYSA-N
Molecular Weight 368.908 g/mol
SMILES c1(N2C=C(C=O)CCCC2)c(CN(c2ccc(cc2)Cl)C)cc(cc1)C
SPLASH splash10-004j-0592000000-79cfd94c8a087521e39a
Source of Spectrum KC-0-1261-7
Synonyms 1-(2-{[(4-Chloro-phenyl)-methyl-amino]-methyl}-4-methyl-phenyl)-4,5,6,7-tetrahydro-1H-azepine-3-carbaldehyde 1-(2-{[4-chloro(methyl)anilino]methyl}-4-methylphenyl)-2,3,4,5-tetrahydro-1H-azepine-3-carbaldehyde
Wiley ID 825022