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Glutaric acid, monoamide, N-(2-ethylphenyl)-, hexyl ester
SpectraBase Compound ID HU5uxwQnAG4
InChI InChI=1S/C19H29NO3/c1-3-5-6-9-15-23-19(22)14-10-13-18(21)20-17-12-8-7-11-16(17)4-2/h7-8,11-12H,3-6,9-10,13-15H2,1-2H3,(H,20,21)
InChIKey KRBWBFKBYMQGFW-UHFFFAOYSA-N
Mol Weight 319.45 g/mol
Molecular Formula C19H29NO3
Exact Mass 319.214744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CEBLWhar5lo
Name Glutaric acid, monoamide, N-(2-ethylphenyl)-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 319.214743795 u
Formula C19H29NO3
InChI InChI=1S/C19H29NO3/c1-3-5-6-9-15-23-19(22)14-10-13-18(21)20-17-12-8-7-11-16(17)4-2/h7-8,11-12H,3-6,9-10,13-15H2,1-2H3,(H,20,21)
InChIKey KRBWBFKBYMQGFW-UHFFFAOYSA-N
Molecular Weight 319.445 g/mol
SMILES C1=CC=C(C(=C1)NC(CCCC(OCCCCCC)=O)=O)CC