For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Fumaric acid, butyl 3-ethylphenyl ester
SpectraBase Compound ID LWeTaKuusek
InChI InChI=1S/C16H20O4/c1-3-5-11-19-15(17)9-10-16(18)20-14-8-6-7-13(4-2)12-14/h6-10,12H,3-5,11H2,1-2H3/b10-9+
InChIKey GTZFJRUPSXQDPO-MDZDMXLPSA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DnbvYciyX0A
Name Fumaric acid, butyl 3-ethylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.136159120 u
Formula C16H20O4
InChI InChI=1S/C16H20O4/c1-3-5-11-19-15(17)9-10-16(18)20-14-8-6-7-13(4-2)12-14/h6-10,12H,3-5,11H2,1-2H3/b10-9+
InChIKey GTZFJRUPSXQDPO-MDZDMXLPSA-N
SMILES C(OC1=CC(=CC=C1)CC)(\C=C\C(OCCCC)=O)=O