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Phthalic acid, hexyl 2-methoxybenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, hexyl 2-methoxybenzyl ester
SpectraBase Compound ID 8QqeniuvwV1
InChI InChI=1S/C22H26O5/c1-3-4-5-10-15-26-21(23)18-12-7-8-13-19(18)22(24)27-16-17-11-6-9-14-20(17)25-2/h6-9,11-14H,3-5,10,15-16H2,1-2H3
InChIKey ZAOSZPSCZFQDGP-UHFFFAOYSA-N
Mol Weight 370.45 g/mol
Molecular Formula C22H26O5
Exact Mass 370.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2niuv28dmcZ
Name Phthalic acid, hexyl 2-methoxybenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 370.178023932 u
Formula C22H26O5
InChI InChI=1S/C22H26O5/c1-3-4-5-10-15-26-21(23)18-12-7-8-13-19(18)22(24)27-16-17-11-6-9-14-20(17)25-2/h6-9,11-14H,3-5,10,15-16H2,1-2H3
InChIKey ZAOSZPSCZFQDGP-UHFFFAOYSA-N
Molecular Weight 370.445 g/mol
SMILES C(C1=CC=CC=C1C(=O)OCC=1C(OC)=CC=CC1)(OCCCCCC)=O