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Glutaric acid, monoamide, N-(3-methylphenyl)-, isohexyl ester

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Glutaric acid, monoamide, N-(3-methylphenyl)-, isohexyl ester
SpectraBase Compound ID FMva28m0E2A
InChI InChI=1S/C18H27NO3/c1-14(2)7-6-12-22-18(21)11-5-10-17(20)19-16-9-4-8-15(3)13-16/h4,8-9,13-14H,5-7,10-12H2,1-3H3,(H,19,20)
InChIKey UCFCLRFCDHPCDX-UHFFFAOYSA-N
Mol Weight 305.42 g/mol
Molecular Formula C18H27NO3
Exact Mass 305.199094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JNb584Vc4Pe
Name Glutaric acid, monoamide, N-(3-methylphenyl)-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 305.199093730 u
Formula C18H27NO3
InChI InChI=1S/C18H27NO3/c1-14(2)7-6-12-22-18(21)11-5-10-17(20)19-16-9-4-8-15(3)13-16/h4,8-9,13-14H,5-7,10-12H2,1-3H3,(H,19,20)
InChIKey UCFCLRFCDHPCDX-UHFFFAOYSA-N
Molecular Weight 305.418 g/mol
SMILES C1=CC(=CC(=C1)NC(CCCC(OCCCC(C)C)=O)=O)C