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Glutaric acid, dodec-2-en-1-yl 3-methyl-5-methoxypentyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, dodec-2-en-1-yl 3-methyl-5-methoxypentyl ester
SpectraBase Compound ID C0cOlhEnySD
InChI InChI=1S/C24H44O5/c1-4-5-6-7-8-9-10-11-12-13-19-28-23(25)15-14-16-24(26)29-21-18-22(2)17-20-27-3/h12-13,22H,4-11,14-21H2,1-3H3/b13-12+
InChIKey NPXBTPDBTHHWPK-OUKQBFOZSA-N
Mol Weight 412.6 g/mol
Molecular Formula C24H44O5
Exact Mass 412.318875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8rfONMNF3i
Name Glutaric acid, dodec-2-en-1-yl 3-methyl-5-methoxypentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.318874512 u
Formula C24H44O5
InChI InChI=1S/C24H44O5/c1-4-5-6-7-8-9-10-11-12-13-19-28-23(25)15-14-16-24(26)29-21-18-22(2)17-20-27-3/h12-13,22H,4-11,14-21H2,1-3H3/b13-12+
InChIKey NPXBTPDBTHHWPK-OUKQBFOZSA-N
Molecular Weight 412.611 g/mol
SMILES C(CCC(OC\C=C\CCCCCCCCC)=O)C(OCCC(C)CCOC)=O