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Phthalic acid, monoamide, N,N-dinonyl, ethyl ester

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Phthalic acid, monoamide, N,N-dinonyl, ethyl ester
SpectraBase Compound ID 3gHVlkMcSdu
InChI InChI=1S/C28H47NO3/c1-4-7-9-11-13-15-19-23-29(24-20-16-14-12-10-8-5-2)27(30)25-21-17-18-22-26(25)28(31)32-6-3/h17-18,21-22H,4-16,19-20,23-24H2,1-3H3
InChIKey JCXIHFRWZGPPMN-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 LX1bwmNHbWP
Name Phthalic acid, monoamide, N,N-dinonyl, ethyl 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/c1-4-7-9-11-13-15-19-23-29(24-20-16-14-12-10-8-5-2)27(30)25-21-17-18-22-26(25)28(31)32-6-3/h17-18,21-22H,4-16,19-20,23-24H2,1-3H3
InChIKey JCXIHFRWZGPPMN-UHFFFAOYSA-N
Molecular Weight 445.688 g/mol
SMILES CCCCCCCCCN(C(C1=C(C(OCC)=O)C=CC=C1)=O)CCCCCCCCC