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2-cyano-N-(2-iodobenzyl)-N-propyl-acetamide
SpectraBase Compound ID Fm2RwfP4FmO
InChI InChI=1S/C13H15IN2O/c1-2-9-16(13(17)7-8-15)10-11-5-3-4-6-12(11)14/h3-6H,2,7,9-10H2,1H3
InChIKey LSQFEZWGFOCXBP-UHFFFAOYSA-N
Mol Weight 342.18 g/mol
Molecular Formula C13H15IN2O
Exact Mass 342.022908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID vxGBdNdH5U
Name 2-cyano-N-(2-iodobenzyl)-N-propyl-acetamide
Comments Less than 3 mono-isotopic peaks
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Formula C13H15IN2O
InChI InChI=1S/C13H15IN2O/c1-2-9-16(13(17)7-8-15)10-11-5-3-4-6-12(11)14/h3-6H,2,7,9-10H2,1H3
InChIKey LSQFEZWGFOCXBP-UHFFFAOYSA-N
Molecular Weight 342.180 g/mol
SMILES C(N(Cc1c(I)cccc1)CCC)(CC#N)=O
SPLASH splash10-014i-0090000000-8a25189be290caa5653d
Source of Spectrum J-59-6118-3
Synonyms 2-cyano-N-[(2-iodanylphenyl)methyl]-N-propyl-ethanamide 2-cyano-N-[(2-iodophenyl)methyl]-N-propyl-acetamide
Wiley ID 1336228