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Isophthalic acid, monoamide, N-(2-ethylhexyl)-, butyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, monoamide, N-(2-ethylhexyl)-, butyl ester
SpectraBase Compound ID Jo5QLypU7EI
InChI InChI=1S/C20H31NO3/c1-4-7-10-16(6-3)15-21-19(22)17-11-9-12-18(14-17)20(23)24-13-8-5-2/h9,11-12,14,16H,4-8,10,13,15H2,1-3H3,(H,21,22)
InChIKey JSCVJVUHODNFJC-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 LDuEUz8xc86
Name Isophthalic acid, monoamide, N-(2-ethylhexyl)-, butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 333.230393859 u
Formula C20H31NO3
InChI InChI=1S/C20H31NO3/c1-4-7-10-16(6-3)15-21-19(22)17-11-9-12-18(14-17)20(23)24-13-8-5-2/h9,11-12,14,16H,4-8,10,13,15H2,1-3H3,(H,21,22)
InChIKey JSCVJVUHODNFJC-UHFFFAOYSA-N
Molecular Weight 333.472 g/mol
SMILES CCCCOC(C1=CC(=CC=C1)C(NCC(CCCC)CC)=O)=O