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

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Isophthalic acid, monoamide, N,N-diheptyl-, nonyl ester
SpectraBase Compound ID 9OeatA0SdgL
InChI InChI=1S/C31H53NO3/c1-4-7-10-13-14-17-20-26-35-31(34)29-23-21-22-28(27-29)30(33)32(24-18-15-11-8-5-2)25-19-16-12-9-6-3/h21-23,27H,4-20,24-26H2,1-3H3
InChIKey BSODHWJZYYQAPX-UHFFFAOYSA-N
Mol Weight 487.8 g/mol
Molecular Formula C31H53NO3
Exact Mass 487.402545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bbt3P1EMEGs
Name Isophthalic acid, monoamide, N,N-diheptyl-, nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 487.402544568 u
Formula C31H53NO3
InChI InChI=1S/C31H53NO3/c1-4-7-10-13-14-17-20-26-35-31(34)29-23-21-22-28(27-29)30(33)32(24-18-15-11-8-5-2)25-19-16-12-9-6-3/h21-23,27H,4-20,24-26H2,1-3H3
InChIKey BSODHWJZYYQAPX-UHFFFAOYSA-N
Molecular Weight 487.769 g/mol
SMILES C1=CC(=CC(=C1)C(N(CCCCCCC)CCCCCCC)=O)C(OCCCCCCCCC)=O