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Terephthalic acid, decyl phenyl ester
SpectraBase Compound ID FvyNC7DdSEC
InChI InChI=1S/C24H30O4/c1-2-3-4-5-6-7-8-12-19-27-23(25)20-15-17-21(18-16-20)24(26)28-22-13-10-9-11-14-22/h9-11,13-18H,2-8,12,19H2,1H3
InChIKey XLXWLFBGIHGYKR-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 HDq9NzW3oLt
Name Terephthalic acid, decyl phenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.214409442 u
Formula C24H30O4
InChI InChI=1S/C24H30O4/c1-2-3-4-5-6-7-8-12-19-27-23(25)20-15-17-21(18-16-20)24(26)28-22-13-10-9-11-14-22/h9-11,13-18H,2-8,12,19H2,1H3
InChIKey XLXWLFBGIHGYKR-UHFFFAOYSA-N
Molecular Weight 382.500 g/mol
SMILES C(OC(=O)C1=CC=C(C=C1)C(=O)OC1=CC=CC=C1)CCCCCCCCC