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Glutaric acid, dodec-2-en-1-yl 2-methylpent-3-yl ester

View entire compound with spectra: 1 NMR

Glutaric acid, dodec-2-en-1-yl 2-methylpent-3-yl ester
SpectraBase Compound ID 6k26OQmVhCv
InChI InChI=1S/C23H42O4/c1-5-7-8-9-10-11-12-13-14-15-19-26-22(24)17-16-18-23(25)27-21(6-2)20(3)4/h14-15,20-21H,5-13,16-19H2,1-4H3/b15-14+
InChIKey UAEFLMCRJQWYMD-CCEZHUSRSA-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 KJFpyf63C37
Name Glutaric acid, dodec-2-en-1-yl 2-methylpent-3-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.308309828 u
Formula C23H42O4
InChI InChI=1S/C23H42O4/c1-5-7-8-9-10-11-12-13-14-15-19-26-22(24)17-16-18-23(25)27-21(6-2)20(3)4/h14-15,20-21H,5-13,16-19H2,1-4H3/b15-14+
InChIKey UAEFLMCRJQWYMD-CCEZHUSRSA-N
Molecular Weight 382.585 g/mol
SMILES C(CCC(OC\C=C\CCCCCCCCC)=O)C(OC(C(C)C)CC)=O