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Glutaric acid, monoamide, N-(4-methylbenzyl)-, octyl ester

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Glutaric acid, monoamide, N-(4-methylbenzyl)-, octyl ester
SpectraBase Compound ID 6BDZCSaGjTc
InChI InChI=1S/C21H33NO3/c1-3-4-5-6-7-8-16-25-21(24)11-9-10-20(23)22-17-19-14-12-18(2)13-15-19/h12-15H,3-11,16-17H2,1-2H3,(H,22,23)
InChIKey VXIKTHDSVZKHLX-UHFFFAOYSA-N
Mol Weight 347.5 g/mol
Molecular Formula C21H33NO3
Exact Mass 347.246044 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8fqaD98gL4V
Name Glutaric acid, monoamide, N-(4-methylbenzyl)-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 347.246043924 u
Formula C21H33NO3
InChI InChI=1S/C21H33NO3/c1-3-4-5-6-7-8-16-25-21(24)11-9-10-20(23)22-17-19-14-12-18(2)13-15-19/h12-15H,3-11,16-17H2,1-2H3,(H,22,23)
InChIKey VXIKTHDSVZKHLX-UHFFFAOYSA-N
Molecular Weight 347.499 g/mol
SMILES CCCCCCCCOC(CCCC(NCC1=CC=C(C=C1)C)=O)=O