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Fumaric acid, isobutyl tetradec-3-enyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, isobutyl tetradec-3-enyl ester
SpectraBase Compound ID 4ROjhtk2DYU
InChI InChI=1S/C22H38O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-25-21(23)16-17-22(24)26-19-20(2)3/h13-14,16-17,20H,4-12,15,18-19H2,1-3H3/b14-13+,17-16+
InChIKey OFOLZDLMDLHYKI-VLDVYECUSA-N
Mol Weight 366.5 g/mol
Molecular Formula C22H38O4
Exact Mass 366.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ItceilpZYN
Name Fumaric acid, isobutyl tetradec-3-enyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.277009700 u
Formula C22H38O4
InChI InChI=1S/C22H38O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-25-21(23)16-17-22(24)26-19-20(2)3/h13-14,16-17,20H,4-12,15,18-19H2,1-3H3/b14-13+,17-16+
InChIKey OFOLZDLMDLHYKI-VLDVYECUSA-N
Molecular Weight 366.542 g/mol
SMILES C(\C=C\C(OCC(C)C)=O)(OCC\C=C\CCCCCCCCCC)=O