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Phthalic acid, 3-methylphenyl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-methylphenyl undecyl ester
SpectraBase Compound ID 6TK1nieYWlW
InChI InChI=1S/C26H34O4/c1-3-4-5-6-7-8-9-10-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-22-16-14-15-21(2)20-22/h11-12,14-18,20H,3-10,13,19H2,1-2H3
InChIKey OVJOHQCESZWMBJ-UHFFFAOYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C26H34O4
Exact Mass 410.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AxE0AwyDfNK
Name Phthalic acid, 3-methylphenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.245709571 u
Formula C26H34O4
InChI InChI=1S/C26H34O4/c1-3-4-5-6-7-8-9-10-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-22-16-14-15-21(2)20-22/h11-12,14-18,20H,3-10,13,19H2,1-2H3
InChIKey OVJOHQCESZWMBJ-UHFFFAOYSA-N
Molecular Weight 410.554 g/mol
SMILES CCCCCCCCCCCOC(C1=C(C(OC2=CC=CC(=C2)C)=O)C=CC=C1)=O