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Terephthalic acid, monoamide, N-(2-ethylphenyl)-, hexyl ester

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Terephthalic acid, monoamide, N-(2-ethylphenyl)-, hexyl ester
SpectraBase Compound ID 27RzvQgoRlb
InChI InChI=1S/C22H27NO3/c1-3-5-6-9-16-26-22(25)19-14-12-18(13-15-19)21(24)23-20-11-8-7-10-17(20)4-2/h7-8,10-15H,3-6,9,16H2,1-2H3,(H,23,24)
InChIKey LXVJJGWHCPEZGZ-UHFFFAOYSA-N
Mol Weight 353.46 g/mol
Molecular Formula C22H27NO3
Exact Mass 353.199094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 35YJ98Q3ma4
Name Terephthalic acid, monoamide, N-(2-ethylphenyl)-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 353.199093730 u
Formula C22H27NO3
InChI InChI=1S/C22H27NO3/c1-3-5-6-9-16-26-22(25)19-14-12-18(13-15-19)21(24)23-20-11-8-7-10-17(20)4-2/h7-8,10-15H,3-6,9,16H2,1-2H3,(H,23,24)
InChIKey LXVJJGWHCPEZGZ-UHFFFAOYSA-N
Molecular Weight 353.462 g/mol
SMILES C1=C(C=CC(=C1)C(OCCCCCC)=O)C(=O)NC1=CC=CC=C1CC