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Fumaric acid, 4-isopropylphenyl pentadecyl ester
SpectraBase Compound ID L4OUS2yRzBF
InChI InChI=1S/C28H44O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-23-31-27(29)21-22-28(30)32-26-19-17-25(18-20-26)24(2)3/h17-22,24H,4-16,23H2,1-3H3/b22-21+
InChIKey NHSIJTCYQBGLPP-QURGRASLSA-N
Mol Weight 444.7 g/mol
Molecular Formula C28H44O4
Exact Mass 444.32396 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E8ScOh7h94o
Name Fumaric acid, 4-isopropylphenyl pentadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.323959893 u
Formula C28H44O4
InChI InChI=1S/C28H44O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-23-31-27(29)21-22-28(30)32-26-19-17-25(18-20-26)24(2)3/h17-22,24H,4-16,23H2,1-3H3/b22-21+
InChIKey NHSIJTCYQBGLPP-QURGRASLSA-N
Molecular Weight 444.656 g/mol
SMILES C(\C=C\C(OC1=CC=C(C=C1)C(C)C)=O)(OCCCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.847594