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Fumaric acid, dodecyl 2-isopropylphenyl ester

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

Fumaric acid, dodecyl 2-isopropylphenyl ester
SpectraBase Compound ID JsLIpK95kt4
InChI InChI=1S/C25H38O4/c1-4-5-6-7-8-9-10-11-12-15-20-28-24(26)18-19-25(27)29-23-17-14-13-16-22(23)21(2)3/h13-14,16-19,21H,4-12,15,20H2,1-3H3/b19-18+
InChIKey LJDWZKCGTVSJOH-VHEBQXMUSA-N
Mol Weight 402.6 g/mol
Molecular Formula C25H38O4
Exact Mass 402.27701 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ERb3c5Jrknf
Name Fumaric acid, dodecyl 2-isopropylphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.277009700 u
Formula C25H38O4
InChI InChI=1S/C25H38O4/c1-4-5-6-7-8-9-10-11-12-15-20-28-24(26)18-19-25(27)29-23-17-14-13-16-22(23)21(2)3/h13-14,16-19,21H,4-12,15,20H2,1-3H3/b19-18+
InChIKey LJDWZKCGTVSJOH-VHEBQXMUSA-N
Molecular Weight 402.575 g/mol
SMILES C(\C=C\C(OC1=C(C=CC=C1)C(C)C)=O)(OCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.872768