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Glutaric acid, 2,3-dimethylphenyl heptadecyl ester
SpectraBase Compound ID EhnnFvTKFu1
InChI InChI=1S/C30H50O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-33-29(31)23-20-24-30(32)34-28-22-19-21-26(2)27(28)3/h19,21-22H,4-18,20,23-25H2,1-3H3
InChIKey OYUZZALZFGMPKF-UHFFFAOYSA-N
Mol Weight 474.7 g/mol
Molecular Formula C30H50O4
Exact Mass 474.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10VSnx5suMj
Name Glutaric acid, 2,3-dimethylphenyl heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 474.370910086 u
Formula C30H50O4
InChI InChI=1S/C30H50O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-33-29(31)23-20-24-30(32)34-28-22-19-21-26(2)27(28)3/h19,21-22H,4-18,20,23-25H2,1-3H3
InChIKey OYUZZALZFGMPKF-UHFFFAOYSA-N
Molecular Weight 474.726 g/mol
SMILES CCCCCCCCCCCCCCCCCOC(CCCC(OC1=CC=CC(=C1C)C)=O)=O