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Phthalic acid, 3-ethylphenyl octyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-ethylphenyl octyl ester
SpectraBase Compound ID 6TxjXxx6KCZ
InChI InChI=1S/C24H30O4/c1-3-5-6-7-8-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-20-14-12-13-19(4-2)18-20/h9-10,12-16,18H,3-8,11,17H2,1-2H3
InChIKey QCLMVRZEQCWQKU-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 8TG2uKc9QCj
Name Phthalic acid, 3-ethylphenyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.214409442 u
Formula C24H30O4
InChI InChI=1S/C24H30O4/c1-3-5-6-7-8-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-20-14-12-13-19(4-2)18-20/h9-10,12-16,18H,3-8,11,17H2,1-2H3
InChIKey QCLMVRZEQCWQKU-UHFFFAOYSA-N
Molecular Weight 382.500 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCC)=O)C(OC1=CC=CC(CC)=C1)=O