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Phthalic acid, 3-methylbenzyl octyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-methylbenzyl octyl ester
SpectraBase Compound ID EkXQZoY2jWk
InChI InChI=1S/C24H30O4/c1-3-4-5-6-7-10-16-27-23(25)21-14-8-9-15-22(21)24(26)28-18-20-13-11-12-19(2)17-20/h8-9,11-15,17H,3-7,10,16,18H2,1-2H3
InChIKey YETPMSWLSJZLHI-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 GuaKTigHDP2
Name Phthalic acid, 3-methylbenzyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.214409442 u
Formula C24H30O4
InChI InChI=1S/C24H30O4/c1-3-4-5-6-7-10-16-27-23(25)21-14-8-9-15-22(21)24(26)28-18-20-13-11-12-19(2)17-20/h8-9,11-15,17H,3-7,10,16,18H2,1-2H3
InChIKey YETPMSWLSJZLHI-UHFFFAOYSA-N
Molecular Weight 382.500 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCC)=O)C(OCC1=CC=CC(=C1)C)=O