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Glutaric acid, monoamide, N-(2-(4-methoxyphenyl)ethyl)-, isohexyl ester

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Glutaric acid, monoamide, N-(2-(4-methoxyphenyl)ethyl)-, isohexyl ester
SpectraBase Compound ID 38O3M7NKkYd
InChI InChI=1S/C20H31NO4/c1-16(2)6-5-15-25-20(23)8-4-7-19(22)21-14-13-17-9-11-18(24-3)12-10-17/h9-12,16H,4-8,13-15H2,1-3H3,(H,21,22)
InChIKey PJOSTKOKYWKNJZ-UHFFFAOYSA-N
Mol Weight 349.47 g/mol
Molecular Formula C20H31NO4
Exact Mass 349.225308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CirZZqKBKuQ
Name Glutaric acid, monoamide, N-(2-(4-methoxyphenyl)ethyl)-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 349.225308478 u
Formula C20H31NO4
InChI InChI=1S/C20H31NO4/c1-16(2)6-5-15-25-20(23)8-4-7-19(22)21-14-13-17-9-11-18(24-3)12-10-17/h9-12,16H,4-8,13-15H2,1-3H3,(H,21,22)
InChIKey PJOSTKOKYWKNJZ-UHFFFAOYSA-N
Molecular Weight 349.471 g/mol
SMILES C(CCCC(NCCC1=CC=C(C=C1)OC)=O)(OCCCC(C)C)=O