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Succinic acid, dodec-2-en-1-yl 3-methylbut-2-yl ester

View entire compound with spectra: 1 NMR

Succinic acid, dodec-2-en-1-yl 3-methylbut-2-yl ester
SpectraBase Compound ID 2YSfsvA0q5C
InChI InChI=1S/C21H38O4/c1-5-6-7-8-9-10-11-12-13-14-17-24-20(22)15-16-21(23)25-19(4)18(2)3/h13-14,18-19H,5-12,15-17H2,1-4H3/b14-13+
InChIKey JCYLALUDERQPMU-BUHFOSPRSA-N
Mol Weight 354.5 g/mol
Molecular Formula C21H38O4
Exact Mass 354.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3aoMtDlkRX1
Name Succinic acid, dodec-2-en-1-yl 3-methylbut-2-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 354.277009700 u
Formula C21H38O4
InChI InChI=1S/C21H38O4/c1-5-6-7-8-9-10-11-12-13-14-17-24-20(22)15-16-21(23)25-19(4)18(2)3/h13-14,18-19H,5-12,15-17H2,1-4H3/b14-13+
InChIKey JCYLALUDERQPMU-BUHFOSPRSA-N
Molecular Weight 354.531 g/mol
SMILES C(CC(OC\C=C\CCCCCCCCC)=O)C(OC(C(C)C)C)=O