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Glutaric acid, monoamide, N-(4-methylbenzyl)-, isohexyl ester
SpectraBase Compound ID IBap7lLvjUV
InChI InChI=1S/C19H29NO3/c1-15(2)6-5-13-23-19(22)8-4-7-18(21)20-14-17-11-9-16(3)10-12-17/h9-12,15H,4-8,13-14H2,1-3H3,(H,20,21)
InChIKey KETIQFYJRKNGPG-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 1SN6hK7GTp9
Name Glutaric acid, monoamide, N-(4-methylbenzyl)-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 319.214743795 u
Formula C19H29NO3
InChI InChI=1S/C19H29NO3/c1-15(2)6-5-13-23-19(22)8-4-7-18(21)20-14-17-11-9-16(3)10-12-17/h9-12,15H,4-8,13-14H2,1-3H3,(H,20,21)
InChIKey KETIQFYJRKNGPG-UHFFFAOYSA-N
Molecular Weight 319.445 g/mol
SMILES CC(C)CCCOC(CCCC(NCC1=CC=C(C=C1)C)=O)=O