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Glutaric acid, decyl hexyl ester
SpectraBase Compound ID 7XslE0CIiMC
InChI InChI=1S/C21H40O4/c1-3-5-7-9-10-11-12-14-19-25-21(23)17-15-16-20(22)24-18-13-8-6-4-2/h3-19H2,1-2H3
InChIKey YFIWOAGOCVJCAJ-UHFFFAOYSA-N
Mol Weight 356.5 g/mol
Molecular Formula C21H40O4
Exact Mass 356.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2hCfU5Nsy5H
Name Glutaric acid, decyl hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 356.292659764 u
Formula C21H40O4
InChI InChI=1S/C21H40O4/c1-3-5-7-9-10-11-12-14-19-25-21(23)17-15-16-20(22)24-18-13-8-6-4-2/h3-19H2,1-2H3
InChIKey YFIWOAGOCVJCAJ-UHFFFAOYSA-N
Molecular Weight 356.547 g/mol
SMILES CCCCCCOC(CCCC(OCCCCCCCCCC)=O)=O