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Phthalic acid, decyl 2-methoxybenzyl ester
SpectraBase Compound ID Hvnn8uaIvwf
InChI InChI=1S/C26H34O5/c1-3-4-5-6-7-8-9-14-19-30-25(27)22-16-11-12-17-23(22)26(28)31-20-21-15-10-13-18-24(21)29-2/h10-13,15-18H,3-9,14,19-20H2,1-2H3
InChIKey WXVRKHLBKSMDQK-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 46qBRlSHDEo
Name Phthalic acid, decyl 2-methoxybenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 426.240624190 u
Formula C26H34O5
InChI InChI=1S/C26H34O5/c1-3-4-5-6-7-8-9-14-19-30-25(27)22-16-11-12-17-23(22)26(28)31-20-21-15-10-13-18-24(21)29-2/h10-13,15-18H,3-9,14,19-20H2,1-2H3
InChIKey WXVRKHLBKSMDQK-UHFFFAOYSA-N
Molecular Weight 426.553 g/mol
SMILES C(C1=CC=CC=C1C(=O)OCC=1C(OC)=CC=CC1)(OCCCCCCCCCC)=O