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Phthalic acid, butyl 3-phenoxybenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, butyl 3-phenoxybenzyl ester
SpectraBase Compound ID 9FqgFaTAODY
InChI InChI=1S/C25H24O5/c1-2-3-16-28-24(26)22-14-7-8-15-23(22)25(27)29-18-19-10-9-13-21(17-19)30-20-11-5-4-6-12-20/h4-15,17H,2-3,16,18H2,1H3
InChIKey HEFFLMGZNOPKTP-UHFFFAOYSA-N
Mol Weight 404.46 g/mol
Molecular Formula C25H24O5
Exact Mass 404.162374 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8JTumaQl5La
Name Phthalic acid, butyl 3-phenoxybenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 404.162373868 u
Formula C25H24O5
InChI InChI=1S/C25H24O5/c1-2-3-16-28-24(26)22-14-7-8-15-23(22)25(27)29-18-19-10-9-13-21(17-19)30-20-11-5-4-6-12-20/h4-15,17H,2-3,16,18H2,1H3
InChIKey HEFFLMGZNOPKTP-UHFFFAOYSA-N
Molecular Weight 404.462 g/mol
SMILES C1(=CC=CC=C1C(OCC1=CC(OC2=CC=CC=C2)=CC=C1)=O)C(OCCCC)=O