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Phthalic acid, hexyl 3-methoxybenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, hexyl 3-methoxybenzyl ester
SpectraBase Compound ID wi0NvObDzv
InChI InChI=1S/C22H26O5/c1-3-4-5-8-14-26-21(23)19-12-6-7-13-20(19)22(24)27-16-17-10-9-11-18(15-17)25-2/h6-7,9-13,15H,3-5,8,14,16H2,1-2H3
InChIKey ALQCUOLOSBPTPF-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 IQkiu0Jpkwz
Name Phthalic acid, hexyl 3-methoxybenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 370.178023932 u
Formula C22H26O5
InChI InChI=1S/C22H26O5/c1-3-4-5-8-14-26-21(23)19-12-6-7-13-20(19)22(24)27-16-17-10-9-11-18(15-17)25-2/h6-7,9-13,15H,3-5,8,14,16H2,1-2H3
InChIKey ALQCUOLOSBPTPF-UHFFFAOYSA-N
Molecular Weight 370.445 g/mol
SMILES C(C1=CC=CC=C1C(OCC1=CC=CC(OC)=C1)=O)(OCCCCCC)=O