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

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

Fumaric acid, isohexyl undec-2-en-1-yl ester
SpectraBase Compound ID 6Q732z9J6Wy
InChI InChI=1S/C21H36O4/c1-4-5-6-7-8-9-10-11-12-17-24-20(22)15-16-21(23)25-18-13-14-19(2)3/h11-12,15-16,19H,4-10,13-14,17-18H2,1-3H3/b12-11+,16-15+
InChIKey LBJCBHPFJVRNRK-YBAIQQBHSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8U6EYR9kcxT
Name Fumaric acid, isohexyl undec-2-en-1-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 352.261359635 u
Formula C21H36O4
InChI InChI=1S/C21H36O4/c1-4-5-6-7-8-9-10-11-12-17-24-20(22)15-16-21(23)25-18-13-14-19(2)3/h11-12,15-16,19H,4-10,13-14,17-18H2,1-3H3/b12-11+,16-15+
InChIKey LBJCBHPFJVRNRK-YBAIQQBHSA-N
Molecular Weight 352.515 g/mol
SMILES C(CCC\C=C\COC(\C=C\C(OCCCC(C)C)=O)=O)CCCC