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Phthalic acid, decyl 3-methoxybenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, decyl 3-methoxybenzyl ester
SpectraBase Compound ID 81HwgP0bNdI
InChI InChI=1S/C26H34O5/c1-3-4-5-6-7-8-9-12-18-30-25(27)23-16-10-11-17-24(23)26(28)31-20-21-14-13-15-22(19-21)29-2/h10-11,13-17,19H,3-9,12,18,20H2,1-2H3
InChIKey XYLYGHIEBBLJGJ-UHFFFAOYSA-N
Mol Weight 426.6 g/mol
Molecular Formula C26H34O5
Exact Mass 426.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4SRZKThavUC
Name Phthalic acid, decyl 3-methoxybenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 426.240624190 u
Formula C26H34O5
InChI InChI=1S/C26H34O5/c1-3-4-5-6-7-8-9-12-18-30-25(27)23-16-10-11-17-24(23)26(28)31-20-21-14-13-15-22(19-21)29-2/h10-11,13-17,19H,3-9,12,18,20H2,1-2H3
InChIKey XYLYGHIEBBLJGJ-UHFFFAOYSA-N
Molecular Weight 426.553 g/mol
SMILES C(C1=CC=CC=C1C(OCC1=CC=CC(OC)=C1)=O)(OCCCCCCCCCC)=O