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Fumaric acid, heptyl undec-2-en-1-yl ester

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

Fumaric acid, heptyl undec-2-en-1-yl ester
SpectraBase Compound ID 1ILNuehNiT1
InChI InChI=1S/C22H38O4/c1-3-5-7-9-10-11-12-14-16-20-26-22(24)18-17-21(23)25-19-15-13-8-6-4-2/h14,16-18H,3-13,15,19-20H2,1-2H3/b16-14+,18-17+
InChIKey PZTIWBFYMKTPAM-ZCXPIULRSA-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 IDT3Gp292xJ
Name Fumaric acid, heptyl undec-2-en-1-yl 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/c1-3-5-7-9-10-11-12-14-16-20-26-22(24)18-17-21(23)25-19-15-13-8-6-4-2/h14,16-18H,3-13,15,19-20H2,1-2H3/b16-14+,18-17+
InChIKey PZTIWBFYMKTPAM-ZCXPIULRSA-N
Molecular Weight 366.542 g/mol
SMILES C(CCCC\C=C\COC(\C=C\C(OCCCCCCC)=O)=O)CCC