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2-{.alpha.-[N-(4'-Bromophenyl)amino]-(4"-chlorobenzyl)}-cyclopentanone
SpectraBase Compound ID 50uHxlFkaH3
InChI InChI=1S/C19H19BrClNO/c20-14-6-10-16(11-7-14)22-18(17-2-1-3-19(17)23)12-13-4-8-15(21)9-5-13/h4-11,17-18,22H,1-3,12H2
InChIKey CTRCCCBARFTNGY-UHFFFAOYSA-N
Mol Weight 392.72 g/mol
Molecular Formula C19H19BrClNO
Exact Mass 391.033855 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IKneKYZuIul
Name 2-{.alpha.-[N-(4'-Bromophenyl)amino]-(4"-chlorobenzyl)}-cyclopentanone
Comments Less than 3 mono-isotopic peaks; Note: The molecular formula of the structure shown is C19H19BrClNO - which differs from the formula reported for the mass spectrum (C19H20ClNO2)
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Formula C19H20ClNO2
InChI InChI=1S/C19H19BrClNO/c20-14-6-10-16(11-7-14)22-18(17-2-1-3-19(17)23)12-13-4-8-15(21)9-5-13/h4-11,17-18,22H,1-3,12H2
InChIKey CTRCCCBARFTNGY-UHFFFAOYSA-N
Molecular Weight 392.724 g/mol
SMILES N(C(C1C(=O)CCC1)Cc1ccc(cc1)Cl)c1ccc(cc1)Br
SPLASH splash10-0002-0090000000-88e58ccce7f1daf0a0ee
Source of Spectrum OP-23-675-1
Synonyms 2-{.alpha.-[N-(4'-Bromophenyl)amino]-(4''-chlorobenzyl)}-cyclopentanone
Wiley ID 850268