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Pentanedioic acid, monoamide, N-(2-benzylphenyl)-, methyl ester

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Pentanedioic acid, monoamide, N-(2-benzylphenyl)-, methyl ester
SpectraBase Compound ID IVRGRBPlUMP
InChI InChI=1S/C19H21NO3/c1-23-19(22)13-7-12-18(21)20-17-11-6-5-10-16(17)14-15-8-3-2-4-9-15/h2-6,8-11H,7,12-14H2,1H3,(H,20,21)
InChIKey AYIKRBNBCDCJCU-UHFFFAOYSA-N
Mol Weight 311.38 g/mol
Molecular Formula C19H21NO3
Exact Mass 311.152144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9y41JDhMbIz
Name Pentanedioic acid, monoamide, N-(2-benzylphenyl)-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 311.152143537 u
Formula C19H21NO3
InChI InChI=1S/C19H21NO3/c1-23-19(22)13-7-12-18(21)20-17-11-6-5-10-16(17)14-15-8-3-2-4-9-15/h2-6,8-11H,7,12-14H2,1H3,(H,20,21)
InChIKey AYIKRBNBCDCJCU-UHFFFAOYSA-N
Molecular Weight 311.381 g/mol
SMILES C1=CC=C(C=C1)CC1=C(NC(=O)CCCC(=O)OC)C=CC=C1