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Phthalic acid, 2-acethylphenyl nonyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-acethylphenyl nonyl ester
SpectraBase Compound ID B0LUrGYUdeV
InChI InChI=1S/C25H30O5/c1-3-4-5-6-7-8-13-18-29-24(27)21-15-9-10-16-22(21)25(28)30-23-17-12-11-14-20(23)19(2)26/h9-12,14-17H,3-8,13,18H2,1-2H3
InChIKey KMWBDBFIPCFRKC-UHFFFAOYSA-N
Mol Weight 410.51 g/mol
Molecular Formula C25H30O5
Exact Mass 410.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IPDIN29LMks
Name Phthalic acid, 2-acethylphenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.209324061 u
Formula C25H30O5
InChI InChI=1S/C25H30O5/c1-3-4-5-6-7-8-13-18-29-24(27)21-15-9-10-16-22(21)25(28)30-23-17-12-11-14-20(23)19(2)26/h9-12,14-17H,3-8,13,18H2,1-2H3
InChIKey KMWBDBFIPCFRKC-UHFFFAOYSA-N
Molecular Weight 410.510 g/mol
SMILES C(C1=C(C=CC=C1)C(=O)OC1=CC=CC=C1C(=O)C)(OCCCCCCCCC)=O