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

View entire compound with spectra: 1 NMR

Isophthalic acid, monoamide, N,N-diheptyl-, butyl ester
SpectraBase Compound ID BGRpeIC4Plw
InChI InChI=1S/C26H43NO3/c1-4-7-10-12-14-19-27(20-15-13-11-8-5-2)25(28)23-17-16-18-24(22-23)26(29)30-21-9-6-3/h16-18,22H,4-15,19-21H2,1-3H3
InChIKey FQXPEGJUOXCWJB-UHFFFAOYSA-N
Mol Weight 417.6 g/mol
Molecular Formula C26H43NO3
Exact Mass 417.324294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EKqecTd20Wz
Name Isophthalic acid, monoamide, N,N-diheptyl-, butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.324294246 u
Formula C26H43NO3
InChI InChI=1S/C26H43NO3/c1-4-7-10-12-14-19-27(20-15-13-11-8-5-2)25(28)23-17-16-18-24(22-23)26(29)30-21-9-6-3/h16-18,22H,4-15,19-21H2,1-3H3
InChIKey FQXPEGJUOXCWJB-UHFFFAOYSA-N
Molecular Weight 417.634 g/mol
SMILES C1=CC=C(C=C1C(OCCCC)=O)C(N(CCCCCCC)CCCCCCC)=O