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Succinic acid, dodec-2-en-1-yl 4-methylpent-2-yl ester

View entire compound with spectra: 1 NMR

Succinic acid, dodec-2-en-1-yl 4-methylpent-2-yl ester
SpectraBase Compound ID B4O2OBeElMG
InChI InChI=1S/C22H40O4/c1-5-6-7-8-9-10-11-12-13-14-17-25-21(23)15-16-22(24)26-20(4)18-19(2)3/h13-14,19-20H,5-12,15-18H2,1-4H3/b14-13+
InChIKey CBBRFKFUURNSBR-BUHFOSPRSA-N
Mol Weight 368.6 g/mol
Molecular Formula C22H40O4
Exact Mass 368.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3spW9BsI4cB
Name Succinic acid, dodec-2-en-1-yl 4-methylpent-2-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 368.292659764 u
Formula C22H40O4
InChI InChI=1S/C22H40O4/c1-5-6-7-8-9-10-11-12-13-14-17-25-21(23)15-16-22(24)26-20(4)18-19(2)3/h13-14,19-20H,5-12,15-18H2,1-4H3/b14-13+
InChIKey CBBRFKFUURNSBR-BUHFOSPRSA-N
Molecular Weight 368.558 g/mol
SMILES C(CC(OC\C=C\CCCCCCCCC)=O)C(OC(C)CC(C)C)=O