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Phthalic acid, pentyl 3-phenoxybenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, pentyl 3-phenoxybenzyl ester
SpectraBase Compound ID EyweX7TdWXF
InChI InChI=1S/C26H26O5/c1-2-3-9-17-29-25(27)23-15-7-8-16-24(23)26(28)30-19-20-11-10-14-22(18-20)31-21-12-5-4-6-13-21/h4-8,10-16,18H,2-3,9,17,19H2,1H3
InChIKey GZOYPVGNVZKRAK-UHFFFAOYSA-N
Mol Weight 418.49 g/mol
Molecular Formula C26H26O5
Exact Mass 418.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HFvh0phGcsq
Name Phthalic acid, pentyl 3-phenoxybenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.178023932 u
Formula C26H26O5
InChI InChI=1S/C26H26O5/c1-2-3-9-17-29-25(27)23-15-7-8-16-24(23)26(28)30-19-20-11-10-14-22(18-20)31-21-12-5-4-6-13-21/h4-8,10-16,18H,2-3,9,17,19H2,1H3
InChIKey GZOYPVGNVZKRAK-UHFFFAOYSA-N
Molecular Weight 418.489 g/mol
SMILES C1(=CC=CC=C1C(OCC1=CC(OC2=CC=CC=C2)=CC=C1)=O)C(OCCCCC)=O