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Isophthalic acid, octyl phenylethyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, octyl phenylethyl ester
SpectraBase Compound ID ECJ8TYWqejv
InChI InChI=1S/C24H30O4/c1-2-3-4-5-6-10-17-27-23(25)21-14-11-15-22(19-21)24(26)28-18-16-20-12-8-7-9-13-20/h7-9,11-15,19H,2-6,10,16-18H2,1H3
InChIKey FZVHQJTUQGLRRX-UHFFFAOYSA-N
Mol Weight 382.5 g/mol
Molecular Formula C24H30O4
Exact Mass 382.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E0FIdg2C2l1
Name Isophthalic acid, octyl phenylethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.214409442 u
Formula C24H30O4
InChI InChI=1S/C24H30O4/c1-2-3-4-5-6-10-17-27-23(25)21-14-11-15-22(19-21)24(26)28-18-16-20-12-8-7-9-13-20/h7-9,11-15,19H,2-6,10,16-18H2,1H3
InChIKey FZVHQJTUQGLRRX-UHFFFAOYSA-N
Molecular Weight 382.500 g/mol
SMILES C1(=CC(=CC=C1)C(OCCC1=CC=CC=C1)=O)C(OCCCCCCCC)=O