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Sebacic acid, di(3-methylphenyl) ester
SpectraBase Compound ID GbFvWZcOCEI
InChI InChI=1S/C24H30O4/c1-19-11-9-13-21(17-19)27-23(25)15-7-5-3-4-6-8-16-24(26)28-22-14-10-12-20(2)18-22/h9-14,17-18H,3-8,15-16H2,1-2H3
InChIKey YTAKMMTYCZAQRC-UHFFFAOYSA-N
Mol Weight 382.5 g/mol
Molecular Formula C24H30O4
Exact Mass 382.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6BbvUrmfjDL
Name Sebacic acid, di(3-methylphenyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 382.214409442 u
Formula C24H30O4
InChI InChI=1S/C24H30O4/c1-19-11-9-13-21(17-19)27-23(25)15-7-5-3-4-6-8-16-24(26)28-22-14-10-12-20(2)18-22/h9-14,17-18H,3-8,15-16H2,1-2H3
InChIKey YTAKMMTYCZAQRC-UHFFFAOYSA-N
Molecular Weight 382.500 g/mol
SMILES C(CCCCCC(OC1=CC(C)=CC=C1)=O)CCC(OC=1C=CC=C(C)C1)=O