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Succinic acid, heptadecyl 2-methylphenyl ester

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

Succinic acid, heptadecyl 2-methylphenyl ester
SpectraBase Compound ID D97AbvhC4vM
InChI InChI=1S/C28H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-31-27(29)22-23-28(30)32-26-21-18-17-20-25(26)2/h17-18,20-21H,3-16,19,22-24H2,1-2H3
InChIKey JVFMVRTUIBCBIY-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 52sCuk9dxUE
Name Succinic acid, heptadecyl 2-methylphenyl 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/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-31-27(29)22-23-28(30)32-26-21-18-17-20-25(26)2/h17-18,20-21H,3-16,19,22-24H2,1-2H3
InChIKey JVFMVRTUIBCBIY-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C(CCCCCCCCCCOC(CCC(OC1=C(C=CC=C1)C)=O)=O)CCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.80746