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Glutaric acid, monoamide, N-(2-methoxybenzyl)-, heptyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, monoamide, N-(2-methoxybenzyl)-, heptyl ester
SpectraBase Compound ID 1qNBU0ObDbZ
InChI InChI=1S/C20H31NO4/c1-3-4-5-6-9-15-25-20(23)14-10-13-19(22)21-16-17-11-7-8-12-18(17)24-2/h7-8,11-12H,3-6,9-10,13-16H2,1-2H3,(H,21,22)
InChIKey VKKDQISNUJGZOH-UHFFFAOYSA-N
Mol Weight 349.47 g/mol
Molecular Formula C20H31NO4
Exact Mass 349.225308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7rhMr1Sb9qe
Name Glutaric acid, monoamide, N-(2-methoxybenzyl)-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 349.225308478 u
Formula C20H31NO4
InChI InChI=1S/C20H31NO4/c1-3-4-5-6-9-15-25-20(23)14-10-13-19(22)21-16-17-11-7-8-12-18(17)24-2/h7-8,11-12H,3-6,9-10,13-16H2,1-2H3,(H,21,22)
InChIKey VKKDQISNUJGZOH-UHFFFAOYSA-N
Molecular Weight 349.471 g/mol
SMILES COC1=C(C=CC=C1)CNC(CCCC(OCCCCCCC)=O)=O