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Isophthalic acid, monoamide, N,N-diisobutyl-, butyl ester

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Isophthalic acid, monoamide, N,N-diisobutyl-, butyl ester
SpectraBase Compound ID 8Bi60RVAa2V
InChI InChI=1S/C20H31NO3/c1-6-7-11-24-20(23)18-10-8-9-17(12-18)19(22)21(13-15(2)3)14-16(4)5/h8-10,12,15-16H,6-7,11,13-14H2,1-5H3
InChIKey PDSIASOLUSOFDC-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 HVzGpgffljj
Name Isophthalic acid, monoamide, N,N-diisobutyl-, butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 333.230393859 u
Formula C20H31NO3
InChI InChI=1S/C20H31NO3/c1-6-7-11-24-20(23)18-10-8-9-17(12-18)19(22)21(13-15(2)3)14-16(4)5/h8-10,12,15-16H,6-7,11,13-14H2,1-5H3
InChIKey PDSIASOLUSOFDC-UHFFFAOYSA-N
Molecular Weight 333.472 g/mol
SMILES CCCCOC(C=1C=C(C(N(CC(C)C)CC(C)C)=O)C=CC1)=O