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Glutaric acid, monoamide, N-(2-phenylpropyl)-, isohexyl ester

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Glutaric acid, monoamide, N-(2-phenylpropyl)-, isohexyl ester
SpectraBase Compound ID B69NVOsigTO
InChI InChI=1S/C20H31NO3/c1-16(2)9-8-14-24-20(23)13-7-12-19(22)21-15-17(3)18-10-5-4-6-11-18/h4-6,10-11,16-17H,7-9,12-15H2,1-3H3,(H,21,22)
InChIKey XFFQHLXQAIIBOD-UHFFFAOYSA-N
Mol Weight 333.47 g/mol
Molecular Formula C20H31NO3
Exact Mass 333.230394 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ff5UZQBiRJQ
Name Glutaric acid, monoamide, N-(2-phenylpropyl)-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 333.230393859 u
Formula C20H31NO3
InChI InChI=1S/C20H31NO3/c1-16(2)9-8-14-24-20(23)13-7-12-19(22)21-15-17(3)18-10-5-4-6-11-18/h4-6,10-11,16-17H,7-9,12-15H2,1-3H3,(H,21,22)
InChIKey XFFQHLXQAIIBOD-UHFFFAOYSA-N
Molecular Weight 333.472 g/mol
SMILES CC(C)CCCOC(CCCC(NCC(C)C1=CC=CC=C1)=O)=O