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Phthalic acid, monoamide, N,N-dibutyl-, nonyl ester

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

Phthalic acid, monoamide, N,N-dibutyl-, nonyl ester
SpectraBase Compound ID JPgqtDl5PJb
InChI InChI=1S/C25H41NO3/c1-4-7-10-11-12-13-16-21-29-25(28)23-18-15-14-17-22(23)24(27)26(19-8-5-2)20-9-6-3/h14-15,17-18H,4-13,16,19-21H2,1-3H3
InChIKey GOTSDTYOFNHKBL-UHFFFAOYSA-N
Mol Weight 403.6 g/mol
Molecular Formula C25H41NO3
Exact Mass 403.308644 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6tcaGAYXDi1
Name Phthalic acid, monoamide, N,N-dibutyl-, nonyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 403.308644181 u
Formula C25H41NO3
InChI InChI=1S/C25H41NO3/c1-4-7-10-11-12-13-16-21-29-25(28)23-18-15-14-17-22(23)24(27)26(19-8-5-2)20-9-6-3/h14-15,17-18H,4-13,16,19-21H2,1-3H3
InChIKey GOTSDTYOFNHKBL-UHFFFAOYSA-N
Molecular Weight 403.607 g/mol
SMILES C(C1=C(C=CC=C1)C(=O)OCCCCCCCCC)(N(CCCC)CCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.814487