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Phthalic acid, octyl 2-phenylethyl ester

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Phthalic acid, octyl 2-phenylethyl ester
SpectraBase Compound ID Hss1IwHbUC5
InChI InChI=1S/C24H30O4/c1-2-3-4-5-6-12-18-27-23(25)21-15-10-11-16-22(21)24(26)28-19-17-20-13-8-7-9-14-20/h7-11,13-16H,2-6,12,17-19H2,1H3
InChIKey MWBPDUWSPHTPLA-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 ImcOg9rHKMb
Name Phthalic acid, octyl 2-phenylethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.214409442 u
Formula C24H30O4
InChI InChI=1S/C24H30O4/c1-2-3-4-5-6-12-18-27-23(25)21-15-10-11-16-22(21)24(26)28-19-17-20-13-8-7-9-14-20/h7-11,13-16H,2-6,12,17-19H2,1H3
InChIKey MWBPDUWSPHTPLA-UHFFFAOYSA-N
Molecular Weight 382.500 g/mol
SMILES C1=C(C(=CC=C1)C(=O)OCCC1=CC=CC=C1)C(=O)OCCCCCCCC