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Phthalic acid, decyl 3-ethylphenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, decyl 3-ethylphenyl ester
SpectraBase Compound ID 9LOfb9Hg5Ss
InChI InChI=1S/C26H34O4/c1-3-5-6-7-8-9-10-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-22-16-14-15-21(4-2)20-22/h11-12,14-18,20H,3-10,13,19H2,1-2H3
InChIKey ILMLXGDBNMUDKW-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 8apbUuZxFLj
Name Phthalic acid, decyl 3-ethylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.245709571 u
Formula C26H34O4
InChI InChI=1S/C26H34O4/c1-3-5-6-7-8-9-10-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-22-16-14-15-21(4-2)20-22/h11-12,14-18,20H,3-10,13,19H2,1-2H3
InChIKey ILMLXGDBNMUDKW-UHFFFAOYSA-N
Molecular Weight 410.554 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCCCC)=O)C(OC1=CC=CC(CC)=C1)=O