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Terephthalic acid, 2-methoxybenzyl pentyl ester

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Terephthalic acid, 2-methoxybenzyl pentyl ester
SpectraBase Compound ID 2lOGKWC1Sxo
InChI InChI=1S/C21H24O5/c1-3-4-7-14-25-20(22)16-10-12-17(13-11-16)21(23)26-15-18-8-5-6-9-19(18)24-2/h5-6,8-13H,3-4,7,14-15H2,1-2H3
InChIKey FCQPBDNDBOIYHP-UHFFFAOYSA-N
Mol Weight 356.42 g/mol
Molecular Formula C21H24O5
Exact Mass 356.162374 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DvpWaoGCoLS
Name Terephthalic acid, 2-methoxybenzyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 356.162373868 u
Formula C21H24O5
InChI InChI=1S/C21H24O5/c1-3-4-7-14-25-20(22)16-10-12-17(13-11-16)21(23)26-15-18-8-5-6-9-19(18)24-2/h5-6,8-13H,3-4,7,14-15H2,1-2H3
InChIKey FCQPBDNDBOIYHP-UHFFFAOYSA-N
Molecular Weight 356.418 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCC)=O)C(=O)OCC1=CC=CC=C1OC