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

View entire compound with spectra: 1 NMR

Glutaric acid, dodec-2-en-1-yl 2-methylhex-3-yl ester
SpectraBase Compound ID 5oXOVo2S1C8
InChI InChI=1S/C24H44O4/c1-5-7-8-9-10-11-12-13-14-15-20-27-23(25)18-16-19-24(26)28-22(17-6-2)21(3)4/h14-15,21-22H,5-13,16-20H2,1-4H3/b15-14+
InChIKey BFVAAYBORMNYRH-CCEZHUSRSA-N
Mol Weight 396.6 g/mol
Molecular Formula C24H44O4
Exact Mass 396.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ejt7Z80bi2t
Name Glutaric acid, dodec-2-en-1-yl 2-methylhex-3-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.323959893 u
Formula C24H44O4
InChI InChI=1S/C24H44O4/c1-5-7-8-9-10-11-12-13-14-15-20-27-23(25)18-16-19-24(26)28-22(17-6-2)21(3)4/h14-15,21-22H,5-13,16-20H2,1-4H3/b15-14+
InChIKey BFVAAYBORMNYRH-CCEZHUSRSA-N
Molecular Weight 396.612 g/mol
SMILES C(CCC(OC\C=C\CCCCCCCCC)=O)C(OC(C(C)C)CCC)=O