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

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Phthalic acid, monoamide, N,N-diheptyl, propyl ester
SpectraBase Compound ID 4EXw68i6kgV
InChI InChI=1S/C25H41NO3/c1-4-7-9-11-15-19-26(20-16-12-10-8-5-2)24(27)22-17-13-14-18-23(22)25(28)29-21-6-3/h13-14,17-18H,4-12,15-16,19-21H2,1-3H3
InChIKey OAXLVIVQPGHAJI-UHFFFAOYSA-N
Mol Weight 403.6 g/mol
Molecular Formula C25H41NO3
Exact Mass 403.308644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KwN93JCKJFY
Name Phthalic acid, monoamide, N,N-diheptyl, propyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 403.308644181 u
Formula C25H41NO3
InChI InChI=1S/C25H41NO3/c1-4-7-9-11-15-19-26(20-16-12-10-8-5-2)24(27)22-17-13-14-18-23(22)25(28)29-21-6-3/h13-14,17-18H,4-12,15-16,19-21H2,1-3H3
InChIKey OAXLVIVQPGHAJI-UHFFFAOYSA-N
Molecular Weight 403.607 g/mol
SMILES CCCOC(C1=C(C(N(CCCCCCC)CCCCCCC)=O)C=CC=C1)=O