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Isophthalic acid, 3-phenoxybenzyl propyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 3-phenoxybenzyl propyl ester
SpectraBase Compound ID 6LqGpvM7Umw
InChI InChI=1S/C24H22O5/c1-2-14-27-23(25)19-9-7-10-20(16-19)24(26)28-17-18-8-6-13-22(15-18)29-21-11-4-3-5-12-21/h3-13,15-16H,2,14,17H2,1H3
InChIKey KOAQQBQSRVYZRL-UHFFFAOYSA-N
Mol Weight 390.44 g/mol
Molecular Formula C24H22O5
Exact Mass 390.146724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ha9KJeaoTGb
Name Isophthalic acid, 3-phenoxybenzyl propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 390.146723803 u
Formula C24H22O5
InChI InChI=1S/C24H22O5/c1-2-14-27-23(25)19-9-7-10-20(16-19)24(26)28-17-18-8-6-13-22(15-18)29-21-11-4-3-5-12-21/h3-13,15-16H,2,14,17H2,1H3
InChIKey KOAQQBQSRVYZRL-UHFFFAOYSA-N
Molecular Weight 390.435 g/mol
SMILES C1=C(C=C(C=C1)C(=O)OCCC)C(OCC1=CC(=CC=C1)OC1=CC=CC=C1)=O