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

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Isophthalic acid, monoamide, N,N-diheptyl-, octyl ester
SpectraBase Compound ID DHbcADBmOuv
InChI InChI=1S/C30H51NO3/c1-4-7-10-13-16-19-25-34-30(33)28-22-20-21-27(26-28)29(32)31(23-17-14-11-8-5-2)24-18-15-12-9-6-3/h20-22,26H,4-19,23-25H2,1-3H3
InChIKey XXTXTEFGHDHPDP-UHFFFAOYSA-N
Mol Weight 473.7 g/mol
Molecular Formula C30H51NO3
Exact Mass 473.386895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 996lRPEOZBJ
Name Isophthalic acid, monoamide, N,N-diheptyl-, octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 473.386894503 u
Formula C30H51NO3
InChI InChI=1S/C30H51NO3/c1-4-7-10-13-16-19-25-34-30(33)28-22-20-21-27(26-28)29(32)31(23-17-14-11-8-5-2)24-18-15-12-9-6-3/h20-22,26H,4-19,23-25H2,1-3H3
InChIKey XXTXTEFGHDHPDP-UHFFFAOYSA-N
Molecular Weight 473.742 g/mol
SMILES C1=CC=C(C=C1C(OCCCCCCCC)=O)C(N(CCCCCCC)CCCCCCC)=O