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Fumaric acid, 2-methyl-4-methoxybutyl octyl ester

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

Fumaric acid, 2-methyl-4-methoxybutyl octyl ester
SpectraBase Compound ID IJxG2q6ev8n
InChI InChI=1S/C18H32O5/c1-4-5-6-7-8-9-13-22-17(19)10-11-18(20)23-15-16(2)12-14-21-3/h10-11,16H,4-9,12-15H2,1-3H3/b11-10+
InChIKey NDTHAMUEMRUFLK-ZHACJKMWSA-N
Mol Weight 328.4 g/mol
Molecular Formula C18H32O5
Exact Mass 328.224974 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2EJVxIS9xA5
Name Fumaric acid, 2-methyl-4-methoxybutyl octyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.224974125 u
Formula C18H32O5
InChI InChI=1S/C18H32O5/c1-4-5-6-7-8-9-13-22-17(19)10-11-18(20)23-15-16(2)12-14-21-3/h10-11,16H,4-9,12-15H2,1-3H3/b11-10+
InChIKey NDTHAMUEMRUFLK-ZHACJKMWSA-N
Molecular Weight 328.449 g/mol
SMILES C(OCC(CCOC)C)(\C=C\C(OCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.912967