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carbanilic acid, octyl ester
SpectraBase Compound ID 71mfynYEYN0
InChI InChI=1S/C15H23NO2/c1-2-3-4-5-6-10-13-18-15(17)16-14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3,(H,16,17)
InChIKey PPGXIFWHXQZPKV-UHFFFAOYSA-N
Mol Weight 249.35 g/mol
Molecular Formula C15H23NO2
Exact Mass 249.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4nJFh6aqGTp
Name Octyl phenylcarbamate
CAS Registry Number 6327-52-2
Comments Note: The molecular formula of the structure shown is C15H23NO2 - which differs from the formula reported for the mass spectrum (C15H20D3NO2)
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Formula C15H20D3NO2
InChI InChI=1S/C15H23NO2/c1-2-3-4-5-6-10-13-18-15(17)16-14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3,(H,16,17)
InChIKey PPGXIFWHXQZPKV-UHFFFAOYSA-N
Molecular Weight 249.354 g/mol
SMILES N(c1ccccc1)C(=O)OCCCCCCCC
SPLASH splash10-0006-9200000000-84e96de65f5cb451c0ad
Synonyms Carbanilic acid, n-octyl ester Carbamic acid, phenyl-, octyl ester N-phenylcarbamic acid octyl ester Octyl N-phenylcarbamate
Wiley ID 1486785