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

View entire compound with spectra: 1 NMR

Glutaric acid, dodec-2-en-1-yl 4-methylpent-2-yl ester
SpectraBase Compound ID K6WwuUUSgkj
InChI InChI=1S/C23H42O4/c1-5-6-7-8-9-10-11-12-13-14-18-26-22(24)16-15-17-23(25)27-21(4)19-20(2)3/h13-14,20-21H,5-12,15-19H2,1-4H3/b14-13+
InChIKey GKTNVZQPYBEUIA-BUHFOSPRSA-N
Mol Weight 382.6 g/mol
Molecular Formula C23H42O4
Exact Mass 382.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ANB9oOaZniv
Name Glutaric acid, dodec-2-en-1-yl 4-methylpent-2-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.308309828 u
Formula C23H42O4
InChI InChI=1S/C23H42O4/c1-5-6-7-8-9-10-11-12-13-14-18-26-22(24)16-15-17-23(25)27-21(4)19-20(2)3/h13-14,20-21H,5-12,15-19H2,1-4H3/b14-13+
InChIKey GKTNVZQPYBEUIA-BUHFOSPRSA-N
Molecular Weight 382.585 g/mol
SMILES C(CCC(OC(C)CC(C)C)=O)C(OC\C=C\CCCCCCCCC)=O