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Glutaric acid, 2-ethylhexyl 2,6-dimethoxyphenyl ester
SpectraBase Compound ID 49vXJrCDqsj
InChI InChI=1S/C21H32O6/c1-5-7-10-16(6-2)15-26-19(22)13-9-14-20(23)27-21-17(24-3)11-8-12-18(21)25-4/h8,11-12,16H,5-7,9-10,13-15H2,1-4H3
InChIKey CELNTRRARCEJCL-UHFFFAOYSA-N
Mol Weight 380.5 g/mol
Molecular Formula C21H32O6
Exact Mass 380.219889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 40gnvRwbxLB
Name Glutaric acid, 2-ethylhexyl 2,6-dimethoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 380.219888744 u
Formula C21H32O6
InChI InChI=1S/C21H32O6/c1-5-7-10-16(6-2)15-26-19(22)13-9-14-20(23)27-21-17(24-3)11-8-12-18(21)25-4/h8,11-12,16H,5-7,9-10,13-15H2,1-4H3
InChIKey CELNTRRARCEJCL-UHFFFAOYSA-N
Molecular Weight 380.481 g/mol
SMILES C(CCC(OCC(CC)CCCC)=O)C(OC1=C(C=CC=C1OC)OC)=O