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Phthalic acid, 3-methoxybenzyl pentadecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-methoxybenzyl pentadecyl ester
SpectraBase Compound ID 1Rno6uBPY2G
InChI InChI=1S/C31H44O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-23-35-30(32)28-21-15-16-22-29(28)31(33)36-25-26-19-18-20-27(24-26)34-2/h15-16,18-22,24H,3-14,17,23,25H2,1-2H3
InChIKey VJPUBWYHAORFMA-UHFFFAOYSA-N
Mol Weight 496.7 g/mol
Molecular Formula C31H44O5
Exact Mass 496.318875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6k3sLFxIspW
Name Phthalic acid, 3-methoxybenzyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 496.318874512 u
Formula C31H44O5
InChI InChI=1S/C31H44O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-23-35-30(32)28-21-15-16-22-29(28)31(33)36-25-26-19-18-20-27(24-26)34-2/h15-16,18-22,24H,3-14,17,23,25H2,1-2H3
InChIKey VJPUBWYHAORFMA-UHFFFAOYSA-N
Molecular Weight 496.688 g/mol
SMILES C(C1=CC=CC=C1C(OCC1=CC=CC(OC)=C1)=O)(OCCCCCCCCCCCCCCC)=O