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1,2-Benzenedicarboxylic acid, bis(4-methylpentyl) ester
SpectraBase Compound ID 3cM65l2zB06
InChI InChI=1S/C20H30O4/c1-15(2)9-7-13-23-19(21)17-11-5-6-12-18(17)20(22)24-14-8-10-16(3)4/h5-6,11-12,15-16H,7-10,13-14H2,1-4H3
InChIKey ALEROMXYYSQFLX-UHFFFAOYSA-N
Mol Weight 334.46 g/mol
Molecular Formula C20H30O4
Exact Mass 334.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gh1fYHrHiee
Name 1,2-Benzenedicarboxylic acid, bis(4-methylpentyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 334.214409442 u
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-15(2)9-7-13-23-19(21)17-11-5-6-12-18(17)20(22)24-14-8-10-16(3)4/h5-6,11-12,15-16H,7-10,13-14H2,1-4H3
InChIKey ALEROMXYYSQFLX-UHFFFAOYSA-N
Molecular Weight 334.456 g/mol
SMILES C(OCCCC(C)C)(=O)C1=C(C(OCCCC(C)C)=O)C=CC=C1