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Terephthalic acid, phenyl undecyl ester

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Terephthalic acid, phenyl undecyl ester
SpectraBase Compound ID ZviPynqiNM
InChI InChI=1S/C25H32O4/c1-2-3-4-5-6-7-8-9-13-20-28-24(26)21-16-18-22(19-17-21)25(27)29-23-14-11-10-12-15-23/h10-12,14-19H,2-9,13,20H2,1H3
InChIKey WCBXIUNHUIHWAR-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C25H32O4
Exact Mass 396.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8YfzbA6wJgL
Name Terephthalic acid, phenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.230059506 u
Formula C25H32O4
InChI InChI=1S/C25H32O4/c1-2-3-4-5-6-7-8-9-13-20-28-24(26)21-16-18-22(19-17-21)25(27)29-23-14-11-10-12-15-23/h10-12,14-19H,2-9,13,20H2,1H3
InChIKey WCBXIUNHUIHWAR-UHFFFAOYSA-N
Molecular Weight 396.527 g/mol
SMILES C(CCCCCOC(=O)C1=CC=C(C=C1)C(=O)OC1=CC=CC=C1)CCCCC