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Isophthalic acid, monoamide, N-(3-methylphenyl)-, hexyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, monoamide, N-(3-methylphenyl)-, hexyl ester
SpectraBase Compound ID 1TSnQye6bQo
InChI InChI=1S/C21H25NO3/c1-3-4-5-6-13-25-21(24)18-11-8-10-17(15-18)20(23)22-19-12-7-9-16(2)14-19/h7-12,14-15H,3-6,13H2,1-2H3,(H,22,23)
InChIKey MCSACYHHGVATTE-UHFFFAOYSA-N
Mol Weight 339.44 g/mol
Molecular Formula C21H25NO3
Exact Mass 339.183444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ig6ze9la2YZ
Name Isophthalic acid, monoamide, N-(3-methylphenyl)-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 339.183443666 u
Formula C21H25NO3
InChI InChI=1S/C21H25NO3/c1-3-4-5-6-13-25-21(24)18-11-8-10-17(15-18)20(23)22-19-12-7-9-16(2)14-19/h7-12,14-15H,3-6,13H2,1-2H3,(H,22,23)
InChIKey MCSACYHHGVATTE-UHFFFAOYSA-N
Molecular Weight 339.435 g/mol
SMILES C1=CC(=CC(=C1)NC(C1=CC(=CC=C1)C(OCCCCCC)=O)=O)C