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Phthalic acid, monoamide, N,N-dioctyl, propyl ester

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Phthalic acid, monoamide, N,N-dioctyl, propyl ester
SpectraBase Compound ID 7TOzXi4xLjD
InChI InChI=1S/C27H45NO3/c1-4-7-9-11-13-17-21-28(22-18-14-12-10-8-5-2)26(29)24-19-15-16-20-25(24)27(30)31-23-6-3/h15-16,19-20H,4-14,17-18,21-23H2,1-3H3
InChIKey HWOSAZBCURHIOI-UHFFFAOYSA-N
Mol Weight 431.7 g/mol
Molecular Formula C27H45NO3
Exact Mass 431.339944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cls9NzREDOC
Name Phthalic acid, monoamide, N,N-dioctyl, propyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.339944310 u
Formula C27H45NO3
InChI InChI=1S/C27H45NO3/c1-4-7-9-11-13-17-21-28(22-18-14-12-10-8-5-2)26(29)24-19-15-16-20-25(24)27(30)31-23-6-3/h15-16,19-20H,4-14,17-18,21-23H2,1-3H3
InChIKey HWOSAZBCURHIOI-UHFFFAOYSA-N
Molecular Weight 431.661 g/mol
SMILES CCCOC(C1=C(C(N(CCCCCCCC)CCCCCCCC)=O)C=CC=C1)=O