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

View entire compound with spectra: 1 NMR

Glutaric acid, dodec-2-en-1-yl hept-4-yl ester
SpectraBase Compound ID 6bSd3jvusSI
InChI InChI=1S/C24H44O4/c1-4-7-8-9-10-11-12-13-14-15-21-27-23(25)19-16-20-24(26)28-22(17-5-2)18-6-3/h14-15,22H,4-13,16-21H2,1-3H3/b15-14+
InChIKey XUBCLAIZUBZNKF-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 JLhAPhfADuO
Name Glutaric acid, dodec-2-en-1-yl hept-4-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.323959893 u
Formula C24H44O4
InChI InChI=1S/C24H44O4/c1-4-7-8-9-10-11-12-13-14-15-21-27-23(25)19-16-20-24(26)28-22(17-5-2)18-6-3/h14-15,22H,4-13,16-21H2,1-3H3/b15-14+
InChIKey XUBCLAIZUBZNKF-CCEZHUSRSA-N
Molecular Weight 396.612 g/mol
SMILES C(CCC(OC(CCC)CCC)=O)C(OC\C=C\CCCCCCCCC)=O