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Succinic acid, 2-methylphenyl octadecyl ester

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

Succinic acid, 2-methylphenyl octadecyl ester
SpectraBase Compound ID CfaV66IJp6s
InChI InChI=1S/C29H48O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-32-28(30)23-24-29(31)33-27-22-19-18-21-26(27)2/h18-19,21-22H,3-17,20,23-25H2,1-2H3
InChIKey DZUKPVZGKVEHPT-UHFFFAOYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C29H48O4
Exact Mass 460.35526 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7l7WguXTKu9
Name Succinic acid, 2-methylphenyl octadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-32-28(30)23-24-29(31)33-27-22-19-18-21-26(27)2/h18-19,21-22H,3-17,20,23-25H2,1-2H3
InChIKey DZUKPVZGKVEHPT-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C(CCCCCCCCOC(CCC(OC1=C(C=CC=C1)C)=O)=O)CCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.811846