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fumaric acid, monooctyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 UV-Vis

fumaric acid, monooctyl ester
SpectraBase Compound ID JtOQG9c0oCh
InChI InChI=1S/C12H20O4/c1-2-3-4-5-6-7-10-16-12(15)9-8-11(13)14/h8-9H,2-7,10H2,1H3,(H,13,14)/b9-8+
InChIKey VTWGIDKXXZRLGH-CMDGGOBGSA-N
Mol Weight 228.29 g/mol
Molecular Formula C12H20O4
Exact Mass 228.136159 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 77p9EryfyCB
Name FUMARIC ACID, MONOOCTYL ESTER
Source of Sample M. Dymicky, USDA, Eastern Regional Research Center, Philadelphia, Pennsylvania
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O4
InChI InChI=1S/C12H20O4/c1-2-3-4-5-6-7-10-16-12(15)9-8-11(13)14/h8-9H,2-7,10H2,1H3,(H,13,14)/b9-8+
InChIKey VTWGIDKXXZRLGH-CMDGGOBGSA-N
Melting Point 65-65.5C
Molecular Weight 228.287994
Technique CAPILLARY CELL: MELT (CRYSTALLINE PHASE)