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

View entire compound with spectra: 1 NMR

Isophthalic acid, monoamide, N,N-diisobutyl-, dodecyl ester
SpectraBase Compound ID I60h5NjtC5P
InChI InChI=1S/C28H47NO3/c1-6-7-8-9-10-11-12-13-14-15-19-32-28(31)26-18-16-17-25(20-26)27(30)29(21-23(2)3)22-24(4)5/h16-18,20,23-24H,6-15,19,21-22H2,1-5H3
InChIKey POGWAMWGVUNNDD-UHFFFAOYSA-N
Mol Weight 445.7 g/mol
Molecular Formula C28H47NO3
Exact Mass 445.355594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8HynYgSpJz8
Name Isophthalic acid, monoamide, N,N-diisobutyl-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 445.355594374 u
Formula C28H47NO3
InChI InChI=1S/C28H47NO3/c1-6-7-8-9-10-11-12-13-14-15-19-32-28(31)26-18-16-17-25(20-26)27(30)29(21-23(2)3)22-24(4)5/h16-18,20,23-24H,6-15,19,21-22H2,1-5H3
InChIKey POGWAMWGVUNNDD-UHFFFAOYSA-N
Molecular Weight 445.688 g/mol
SMILES CCCCCCCCCCCCOC(C=1C=C(C(N(CC(C)C)CC(C)C)=O)C=CC1)=O