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Glutaric acid, monoamide, N-(3-methylphenyl)-, octyl ester

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Glutaric acid, monoamide, N-(3-methylphenyl)-, octyl ester
SpectraBase Compound ID E7XbBOT2Riy
InChI InChI=1S/C20H31NO3/c1-3-4-5-6-7-8-15-24-20(23)14-10-13-19(22)21-18-12-9-11-17(2)16-18/h9,11-12,16H,3-8,10,13-15H2,1-2H3,(H,21,22)
InChIKey PSJDCANTFFLPHC-UHFFFAOYSA-N
Mol Weight 333.47 g/mol
Molecular Formula C20H31NO3
Exact Mass 333.230394 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AwvxoM2imnS
Name Glutaric acid, monoamide, N-(3-methylphenyl)-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 333.230393859 u
Formula C20H31NO3
InChI InChI=1S/C20H31NO3/c1-3-4-5-6-7-8-15-24-20(23)14-10-13-19(22)21-18-12-9-11-17(2)16-18/h9,11-12,16H,3-8,10,13-15H2,1-2H3,(H,21,22)
InChIKey PSJDCANTFFLPHC-UHFFFAOYSA-N
Molecular Weight 333.472 g/mol
SMILES C1=CC(=CC(=C1)NC(CCCC(OCCCCCCCC)=O)=O)C