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Phthalic acid, 2-methylbenzyl octyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-methylbenzyl octyl ester
SpectraBase Compound ID 2JibWdsrJKR
InChI InChI=1S/C24H30O4/c1-3-4-5-6-7-12-17-27-23(25)21-15-10-11-16-22(21)24(26)28-18-20-14-9-8-13-19(20)2/h8-11,13-16H,3-7,12,17-18H2,1-2H3
InChIKey DBWCOOPKFJFIJP-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 DKAvzh3Kl4z
Name Phthalic acid, 2-methylbenzyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.214409442 u
Formula C24H30O4
InChI InChI=1S/C24H30O4/c1-3-4-5-6-7-12-17-27-23(25)21-15-10-11-16-22(21)24(26)28-18-20-14-9-8-13-19(20)2/h8-11,13-16H,3-7,12,17-18H2,1-2H3
InChIKey DBWCOOPKFJFIJP-UHFFFAOYSA-N
Molecular Weight 382.500 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC1=CC=CC=C1C)C(=O)OCCCCCCCC