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

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Isophthalic acid, monoamide, N,N-diheptyl-, hexyl ester
SpectraBase Compound ID 7piX7ALpti2
InChI InChI=1S/C28H47NO3/c1-4-7-10-13-15-21-29(22-16-14-11-8-5-2)27(30)25-19-18-20-26(24-25)28(31)32-23-17-12-9-6-3/h18-20,24H,4-17,21-23H2,1-3H3
InChIKey KJRWJJOSYNCZHS-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 8fy8XN3mqQ5
Name Isophthalic acid, monoamide, N,N-diheptyl-, hexyl 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/c1-4-7-10-13-15-21-29(22-16-14-11-8-5-2)27(30)25-19-18-20-26(24-25)28(31)32-23-17-12-9-6-3/h18-20,24H,4-17,21-23H2,1-3H3
InChIKey KJRWJJOSYNCZHS-UHFFFAOYSA-N
Molecular Weight 445.688 g/mol
SMILES C1=CC(=CC(=C1)C(N(CCCCCCC)CCCCCCC)=O)C(OCCCCCC)=O