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

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Isophthalic acid, monoamide, N,N-diisobutyl-, octyl ester
SpectraBase Compound ID Ckw9s9L70L0
InChI InChI=1S/C24H39NO3/c1-6-7-8-9-10-11-15-28-24(27)22-14-12-13-21(16-22)23(26)25(17-19(2)3)18-20(4)5/h12-14,16,19-20H,6-11,15,17-18H2,1-5H3
InChIKey XFCNBVHJZLKUCP-UHFFFAOYSA-N
Mol Weight 389.6 g/mol
Molecular Formula C24H39NO3
Exact Mass 389.292994 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CI7M3GtW0ps
Name Isophthalic acid, monoamide, N,N-diisobutyl-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 389.292994117 u
Formula C24H39NO3
InChI InChI=1S/C24H39NO3/c1-6-7-8-9-10-11-15-28-24(27)22-14-12-13-21(16-22)23(26)25(17-19(2)3)18-20(4)5/h12-14,16,19-20H,6-11,15,17-18H2,1-5H3
InChIKey XFCNBVHJZLKUCP-UHFFFAOYSA-N
Molecular Weight 389.580 g/mol
SMILES C(N(C(C1=CC(=CC=C1)C(OCCCCCCCC)=O)=O)CC(C)C)C(C)C