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Phthalic acid, 3,4-dimethylphenyl octyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,4-dimethylphenyl octyl ester
SpectraBase Compound ID 6meBrPIp24K
InChI InChI=1S/C24H30O4/c1-4-5-6-7-8-11-16-27-23(25)21-12-9-10-13-22(21)24(26)28-20-15-14-18(2)19(3)17-20/h9-10,12-15,17H,4-8,11,16H2,1-3H3
InChIKey YIMQZSMUGQZBRE-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 4ZbFc3Bg2Iq
Name Phthalic acid, 3,4-dimethylphenyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.214409442 u
Formula C24H30O4
InChI InChI=1S/C24H30O4/c1-4-5-6-7-8-11-16-27-23(25)21-12-9-10-13-22(21)24(26)28-20-15-14-18(2)19(3)17-20/h9-10,12-15,17H,4-8,11,16H2,1-3H3
InChIKey YIMQZSMUGQZBRE-UHFFFAOYSA-N
Molecular Weight 382.500 g/mol
SMILES CCCCCCCCOC(C1=C(C(OC2=CC=C(C(=C2)C)C)=O)C=CC=C1)=O