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Isophthalic acid, isobutyl 3-phenoxybenzyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, isobutyl 3-phenoxybenzyl ester
SpectraBase Compound ID BsGWXVsP3OH
InChI InChI=1S/C25H24O5/c1-18(2)16-28-24(26)20-9-7-10-21(15-20)25(27)29-17-19-8-6-13-23(14-19)30-22-11-4-3-5-12-22/h3-15,18H,16-17H2,1-2H3
InChIKey RSVVXGKBPGURNF-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 DmJf76yEosl
Name Isophthalic 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)20-9-7-10-21(15-20)25(27)29-17-19-8-6-13-23(14-19)30-22-11-4-3-5-12-22/h3-15,18H,16-17H2,1-2H3
InChIKey RSVVXGKBPGURNF-UHFFFAOYSA-N
Molecular Weight 404.462 g/mol
SMILES C1=C(C=C(C=C1)C(=O)OCC(C)C)C(OCC1=CC(=CC=C1)OC1=CC=CC=C1)=O