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Isophthalic acid, butyl 3-phenoxybenzyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, butyl 3-phenoxybenzyl ester
SpectraBase Compound ID IbiWUJj1HLN
InChI InChI=1S/C25H24O5/c1-2-3-15-28-24(26)20-10-8-11-21(17-20)25(27)29-18-19-9-7-14-23(16-19)30-22-12-5-4-6-13-22/h4-14,16-17H,2-3,15,18H2,1H3
InChIKey NNMDFRWUXIBCEB-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 I3mAAEeBd50
Name Isophthalic 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/c1-2-3-15-28-24(26)20-10-8-11-21(17-20)25(27)29-18-19-9-7-14-23(16-19)30-22-12-5-4-6-13-22/h4-14,16-17H,2-3,15,18H2,1H3
InChIKey NNMDFRWUXIBCEB-UHFFFAOYSA-N
Molecular Weight 404.462 g/mol
SMILES C1=C(C=C(C=C1)C(=O)OCCCC)C(OCC1=CC(=CC=C1)OC1=CC=CC=C1)=O