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Fumaric acid, hexadecyl 4-heptyl ester

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

Fumaric acid, hexadecyl 4-heptyl ester
SpectraBase Compound ID AG3wUAeMxB
InChI InChI=1S/C27H50O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-24-30-26(28)22-23-27(29)31-25(20-5-2)21-6-3/h22-23,25H,4-21,24H2,1-3H3/b23-22+
InChIKey DMQQDKMONMAFIU-GHVJWSGMSA-N
Mol Weight 438.7 g/mol
Molecular Formula C27H50O4
Exact Mass 438.37091 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JNw24zVyJCo
Name Fumaric acid, hexadecyl 4-heptyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.370910086 u
Formula C27H50O4
InChI InChI=1S/C27H50O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-24-30-26(28)22-23-27(29)31-25(20-5-2)21-6-3/h22-23,25H,4-21,24H2,1-3H3/b23-22+
InChIKey DMQQDKMONMAFIU-GHVJWSGMSA-N
Molecular Weight 438.693 g/mol
SMILES C(OC(CCC)CCC)(\C=C\C(OCCCCCCCCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954197