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Phthalic acid, monoamide, N,N-diheptyl, isohexyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Phthalic acid, monoamide, N,N-diheptyl, isohexyl ester
SpectraBase Compound ID Ht4NSir6Pdr
InChI InChI=1S/C28H47NO3/c1-5-7-9-11-15-21-29(22-16-12-10-8-6-2)27(30)25-19-13-14-20-26(25)28(31)32-23-17-18-24(3)4/h13-14,19-20,24H,5-12,15-18,21-23H2,1-4H3
InChIKey YMDHBFPJGVWTIL-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 IWkZt9VRwBB
Name Phthalic acid, monoamide, N,N-diheptyl, isohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 445.355594374 u
Formula C28H47NO3
InChI InChI=1S/C28H47NO3/c1-5-7-9-11-15-21-29(22-16-12-10-8-6-2)27(30)25-19-13-14-20-26(25)28(31)32-23-17-18-24(3)4/h13-14,19-20,24H,5-12,15-18,21-23H2,1-4H3
InChIKey YMDHBFPJGVWTIL-UHFFFAOYSA-N
Molecular Weight 445.688 g/mol
SMILES C(N(CCCCCCC)CCCCCCC)(=O)C1=C(C=CC=C1)C(OCCCC(C)C)=O