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Phthalic acid, heptyl 3-methoxybenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, heptyl 3-methoxybenzyl ester
SpectraBase Compound ID 9Ivh5DG4xv3
InChI InChI=1S/C23H28O5/c1-3-4-5-6-9-15-27-22(24)20-13-7-8-14-21(20)23(25)28-17-18-11-10-12-19(16-18)26-2/h7-8,10-14,16H,3-6,9,15,17H2,1-2H3
InChIKey XXSXNUSHWJJXEH-UHFFFAOYSA-N
Mol Weight 384.47 g/mol
Molecular Formula C23H28O5
Exact Mass 384.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Xr28tl9dHv
Name Phthalic acid, heptyl 3-methoxybenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 384.193673997 u
Formula C23H28O5
InChI InChI=1S/C23H28O5/c1-3-4-5-6-9-15-27-22(24)20-13-7-8-14-21(20)23(25)28-17-18-11-10-12-19(16-18)26-2/h7-8,10-14,16H,3-6,9,15,17H2,1-2H3
InChIKey XXSXNUSHWJJXEH-UHFFFAOYSA-N
Molecular Weight 384.472 g/mol
SMILES C(C1=CC=CC=C1C(OCC1=CC=CC(OC)=C1)=O)(OCCCCCCC)=O