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Succinic acid, hexadecyl 4-methylbenzyl ester

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

Succinic acid, hexadecyl 4-methylbenzyl ester
SpectraBase Compound ID BTuZEBG8wVO
InChI InChI=1S/C28H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-31-27(29)21-22-28(30)32-24-26-19-17-25(2)18-20-26/h17-20H,3-16,21-24H2,1-2H3
InChIKey VBEHVCBTCWUPIC-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Lj7xqy0U5k5
Name Succinic acid, hexadecyl 4-methylbenzyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-31-27(29)21-22-28(30)32-24-26-19-17-25(2)18-20-26/h17-20H,3-16,21-24H2,1-2H3
InChIKey VBEHVCBTCWUPIC-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C(CCC(OCC=1C=CC(=CC1)C)=O)(OCCCCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.813829