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Isophthalic acid, pentyl 3-phenoxybenzyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, pentyl 3-phenoxybenzyl ester
SpectraBase Compound ID GUudWQcvHh1
InChI InChI=1S/C26H26O5/c1-2-3-7-16-29-25(27)21-11-9-12-22(18-21)26(28)30-19-20-10-8-15-24(17-20)31-23-13-5-4-6-14-23/h4-6,8-15,17-18H,2-3,7,16,19H2,1H3
InChIKey BYJYDCSEQYLEOK-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 2RucguQ8CMO
Name Isophthalic 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/c1-2-3-7-16-29-25(27)21-11-9-12-22(18-21)26(28)30-19-20-10-8-15-24(17-20)31-23-13-5-4-6-14-23/h4-6,8-15,17-18H,2-3,7,16,19H2,1H3
InChIKey BYJYDCSEQYLEOK-UHFFFAOYSA-N
Molecular Weight 418.489 g/mol
SMILES C1=C(C=C(C=C1)C(=O)OCCCCC)C(OCC1=CC(=CC=C1)OC1=CC=CC=C1)=O