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Phthalic acid, isobutyl 3-phenoxybenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, isobutyl 3-phenoxybenzyl ester
SpectraBase Compound ID L8p7kup8EME
InChI InChI=1S/C25H24O5/c1-18(2)16-28-24(26)22-13-6-7-14-23(22)25(27)29-17-19-9-8-12-21(15-19)30-20-10-4-3-5-11-20/h3-15,18H,16-17H2,1-2H3
InChIKey KDTWYGJWNAKKOR-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 JuU4Wno4Ioa
Name Phthalic acid, isobutyl 3-phenoxybenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 404.162373868 u
Formula C25H24O5
InChI InChI=1S/C25H24O5/c1-18(2)16-28-24(26)22-13-6-7-14-23(22)25(27)29-17-19-9-8-12-21(15-19)30-20-10-4-3-5-11-20/h3-15,18H,16-17H2,1-2H3
InChIKey KDTWYGJWNAKKOR-UHFFFAOYSA-N
Molecular Weight 404.462 g/mol
SMILES C1(=CC=CC=C1C(OCC1=CC(OC2=CC=CC=C2)=CC=C1)=O)C(OCC(C)C)=O