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Fumaric acid, 2-octyl propyl ester

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

Fumaric acid, 2-octyl propyl ester
SpectraBase Compound ID DL1U4rc9T3d
InChI InChI=1S/C15H26O4/c1-4-6-7-8-9-13(3)19-15(17)11-10-14(16)18-12-5-2/h10-11,13H,4-9,12H2,1-3H3/b11-10+
InChIKey XUKZXNVRQXVXJK-ZHACJKMWSA-N
Mol Weight 270.37 g/mol
Molecular Formula C15H26O4
Exact Mass 270.183109 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID B2RAd3DwAWO
Name Fumaric acid, 2-octyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.183109313 u
Formula C15H26O4
InChI InChI=1S/C15H26O4/c1-4-6-7-8-9-13(3)19-15(17)11-10-14(16)18-12-5-2/h10-11,13H,4-9,12H2,1-3H3/b11-10+
InChIKey XUKZXNVRQXVXJK-ZHACJKMWSA-N
Molecular Weight 270.369 g/mol
SMILES C(\C=C\C(OC(CCCCCC)C)=O)(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.977713