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Fumaric acid, di(4-heptyl) ester

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

Fumaric acid, di(4-heptyl) ester
SpectraBase Compound ID 3bie58mUs0H
InChI InChI=1S/C18H32O4/c1-5-9-15(10-6-2)21-17(19)13-14-18(20)22-16(11-7-3)12-8-4/h13-16H,5-12H2,1-4H3/b14-13+
InChIKey NNJNXZGVWDWFTC-BUHFOSPRSA-N
Mol Weight 312.5 g/mol
Molecular Formula C18H32O4
Exact Mass 312.23006 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4JxiYDBq8Hu
Name Fumaric acid, di(4-heptyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.230059506 u
Formula C18H32O4
InChI InChI=1S/C18H32O4/c1-5-9-15(10-6-2)21-17(19)13-14-18(20)22-16(11-7-3)12-8-4/h13-16H,5-12H2,1-4H3/b14-13+
InChIKey NNJNXZGVWDWFTC-BUHFOSPRSA-N
Molecular Weight 312.450 g/mol
SMILES C(OC(CCC)CCC)(\C=C\C(OC(CCC)CCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945106