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Phthalic acid, 4-methoxyphenyl octyl ester

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Phthalic acid, 4-methoxyphenyl octyl ester
SpectraBase Compound ID EVEc66A85S7
InChI InChI=1S/C23H28O5/c1-3-4-5-6-7-10-17-27-22(24)20-11-8-9-12-21(20)23(25)28-19-15-13-18(26-2)14-16-19/h8-9,11-16H,3-7,10,17H2,1-2H3
InChIKey NHCTYGBQPHVDNI-UHFFFAOYSA-N
Mol Weight 384.47 g/mol
Molecular Formula C23H28O5
Exact Mass 384.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Bo4OJ5VLoe
Name Phthalic acid, 4-methoxyphenyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 384.193673997 u
Formula C23H28O5
InChI InChI=1S/C23H28O5/c1-3-4-5-6-7-10-17-27-22(24)20-11-8-9-12-21(20)23(25)28-19-15-13-18(26-2)14-16-19/h8-9,11-16H,3-7,10,17H2,1-2H3
InChIKey NHCTYGBQPHVDNI-UHFFFAOYSA-N
Molecular Weight 384.472 g/mol
SMILES CCCCCCCCOC(C1=C(C(OC2=CC=C(C=C2)OC)=O)C=CC=C1)=O