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2-[(4-iodoanilino)-phenyl-methyl]cyclopentanone
SpectraBase Compound ID LaSqPtHgKW2
InChI InChI=1S/C18H18INO/c19-14-9-11-15(12-10-14)20-18(13-5-2-1-3-6-13)16-7-4-8-17(16)21/h1-3,5-6,9-12,16,18,20H,4,7-8H2
InChIKey DGQNMZQQSHHYKF-UHFFFAOYSA-N
Mol Weight 391.25 g/mol
Molecular Formula C18H18INO
Exact Mass 391.043309 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KoLqmPccBs4
Name 2-[(4-iodoanilino)-phenyl-methyl]cyclopentanone
Alternate Name(s) 2-[(4-Iodoanilino)(phenyl)methyl]cyclopentanone 2-[(4-iodoanilino)-phenylmethyl]-1-cyclopentanone 2-[(4-iodoanilino)-phenylmethyl]cyclopentan-1-one 2-[[(4-iodophenyl)amino]-phenyl-methyl]cyclopentan-1-one Cyclopentanone, 2-(4-iodophenylamino)(phenyl)methyl-
CAS Registry Number 23847-98-5
Comments Less than 3 mono-isotopic peaks
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Formula C18H18INO
InChI InChI=1S/C18H18INO/c19-14-9-11-15(12-10-14)20-18(13-5-2-1-3-6-13)16-7-4-8-17(16)21/h1-3,5-6,9-12,16,18,20H,4,7-8H2
InChIKey DGQNMZQQSHHYKF-UHFFFAOYSA-N
Molecular Weight 391.252 g/mol
SMILES N(C(C1C(=O)CCC1)c1ccccc1)c1ccc(cc1)I
SPLASH splash10-0a4i-0009000000-08beffd7741f506fcd6c
Source of Spectrum OP-23-675-1
Wiley ID 850272