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Glutaric acid, monoamide, N-(1-phenylethyl)-, heptyl ester

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Glutaric acid, monoamide, N-(1-phenylethyl)-, heptyl ester
SpectraBase Compound ID 8VvGR0VtTN2
InChI InChI=1S/C20H31NO3/c1-3-4-5-6-10-16-24-20(23)15-11-14-19(22)21-17(2)18-12-8-7-9-13-18/h7-9,12-13,17H,3-6,10-11,14-16H2,1-2H3,(H,21,22)
InChIKey XVMGJKWVGBSTIW-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 LtwWVcRhJNl
Name Glutaric acid, monoamide, N-(1-phenylethyl)-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 333.230393859 u
Formula C20H31NO3
InChI InChI=1S/C20H31NO3/c1-3-4-5-6-10-16-24-20(23)15-11-14-19(22)21-17(2)18-12-8-7-9-13-18/h7-9,12-13,17H,3-6,10-11,14-16H2,1-2H3,(H,21,22)
InChIKey XVMGJKWVGBSTIW-UHFFFAOYSA-N
Molecular Weight 333.472 g/mol
SMILES CC(NC(CCCC(OCCCCCCC)=O)=O)C1=CC=CC=C1