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Fumaric acid, 4-octyl pentadecyl ester
SpectraBase Compound ID LAzlbX79P5g
InChI InChI=1S/C27H50O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-24-30-26(28)22-23-27(29)31-25(20-6-3)21-8-5-2/h22-23,25H,4-21,24H2,1-3H3/b23-22+
InChIKey ANKTWCLNOFHBAI-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 IIdnb4Y78yq
Name Fumaric acid, 4-octyl pentadecyl 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/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-24-30-26(28)22-23-27(29)31-25(20-6-3)21-8-5-2/h22-23,25H,4-21,24H2,1-3H3/b23-22+
InChIKey ANKTWCLNOFHBAI-GHVJWSGMSA-N
Molecular Weight 438.693 g/mol
SMILES C(CCCCCCOC(\C=C\C(OC(CCCC)CCC)=O)=O)CCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959315