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Phthalic acid, 2-isopropoxyphenyl nonyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-isopropoxyphenyl nonyl ester
SpectraBase Compound ID 3xnfRd4Mm9v
InChI InChI=1S/C26H34O5/c1-4-5-6-7-8-9-14-19-29-25(27)21-15-10-11-16-22(21)26(28)31-24-18-13-12-17-23(24)30-20(2)3/h10-13,15-18,20H,4-9,14,19H2,1-3H3
InChIKey ISUPOYDTPQEVGS-UHFFFAOYSA-N
Mol Weight 426.6 g/mol
Molecular Formula C26H34O5
Exact Mass 426.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C2NcgVAvtoF
Name Phthalic acid, 2-isopropoxyphenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 426.240624190 u
Formula C26H34O5
InChI InChI=1S/C26H34O5/c1-4-5-6-7-8-9-14-19-29-25(27)21-15-10-11-16-22(21)26(28)31-24-18-13-12-17-23(24)30-20(2)3/h10-13,15-18,20H,4-9,14,19H2,1-3H3
InChIKey ISUPOYDTPQEVGS-UHFFFAOYSA-N
Molecular Weight 426.553 g/mol
SMILES C(C1=C(C(OCCCCCCCCC)=O)C=CC=C1)(OC1=C(C=CC=C1)OC(C)C)=O