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

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Glutaric acid, monoamide, N-(4-methylbenzyl)-, tetradecyl ester
SpectraBase Compound ID G9UWv4e75IC
InChI InChI=1S/C27H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-22-31-27(30)17-15-16-26(29)28-23-25-20-18-24(2)19-21-25/h18-21H,3-17,22-23H2,1-2H3,(H,28,29)
InChIKey RWEVFGQFGDLGES-UHFFFAOYSA-N
Mol Weight 431.7 g/mol
Molecular Formula C27H45NO3
Exact Mass 431.339944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KwdnYfrOebc
Name Glutaric acid, monoamide, N-(4-methylbenzyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 431.339944310 u
Formula C27H45NO3
InChI InChI=1S/C27H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-22-31-27(30)17-15-16-26(29)28-23-25-20-18-24(2)19-21-25/h18-21H,3-17,22-23H2,1-2H3,(H,28,29)
InChIKey RWEVFGQFGDLGES-UHFFFAOYSA-N
Molecular Weight 431.661 g/mol
SMILES CCCCCCCCCCCCCCOC(CCCC(NCC1=CC=C(C=C1)C)=O)=O