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Dodecanoic acid, 2,3-dimethylphenyl ester
SpectraBase Compound ID 4oovt31SuDP
InChI InChI=1S/C20H32O2/c1-4-5-6-7-8-9-10-11-12-16-20(21)22-19-15-13-14-17(2)18(19)3/h13-15H,4-12,16H2,1-3H3
InChIKey FGJCENRKFKUYPW-UHFFFAOYSA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FIRbAtwlmfx
Name Dodecanoic acid, 2,3-dimethylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 304.240230268 u
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-4-5-6-7-8-9-10-11-12-16-20(21)22-19-15-13-14-17(2)18(19)3/h13-15H,4-12,16H2,1-3H3
InChIKey FGJCENRKFKUYPW-UHFFFAOYSA-N
Molecular Weight 304.474 g/mol
SMILES CC1=CC=CC(=C1C)OC(CCCCCCCCCCC)=O