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Terephthalic acid, decyl 3-methylbenzyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, decyl 3-methylbenzyl ester
SpectraBase Compound ID AzuNW02Ks1h
InChI InChI=1S/C26H34O4/c1-3-4-5-6-7-8-9-10-18-29-25(27)23-14-16-24(17-15-23)26(28)30-20-22-13-11-12-21(2)19-22/h11-17,19H,3-10,18,20H2,1-2H3
InChIKey TXAJAXGDIAUQRD-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 3cU5VulGbxd
Name Terephthalic acid, decyl 3-methylbenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.245709571 u
Formula C26H34O4
InChI InChI=1S/C26H34O4/c1-3-4-5-6-7-8-9-10-18-29-25(27)23-14-16-24(17-15-23)26(28)30-20-22-13-11-12-21(2)19-22/h11-17,19H,3-10,18,20H2,1-2H3
InChIKey TXAJAXGDIAUQRD-UHFFFAOYSA-N
Molecular Weight 410.554 g/mol
SMILES C1=CC(=CC=C1C(OCC1=CC(=CC=C1)C)=O)C(OCCCCCCCCCC)=O