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Isophthalic acid, 2-formylphenyl octyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2-formylphenyl octyl ester
SpectraBase Compound ID cVia04AWsI
InChI InChI=1S/C23H26O5/c1-2-3-4-5-6-9-15-27-22(25)18-12-10-13-19(16-18)23(26)28-21-14-8-7-11-20(21)17-24/h7-8,10-14,16-17H,2-6,9,15H2,1H3
InChIKey QMUNGAAGMVFZGO-UHFFFAOYSA-N
Mol Weight 382.46 g/mol
Molecular Formula C23H26O5
Exact Mass 382.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BcxZMMhzKTB
Name Isophthalic acid, 2-formylphenyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.178023932 u
Formula C23H26O5
InChI InChI=1S/C23H26O5/c1-2-3-4-5-6-9-15-27-22(25)18-12-10-13-19(16-18)23(26)28-21-14-8-7-11-20(21)17-24/h7-8,10-14,16-17H,2-6,9,15H2,1H3
InChIKey QMUNGAAGMVFZGO-UHFFFAOYSA-N
Molecular Weight 382.456 g/mol
SMILES C1=C(C(=CC=C1)C=O)OC(C1=CC(=CC=C1)C(OCCCCCCCC)=O)=O