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Phthalic acid, 4,4-dimethylpent-2-yl nonyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4,4-dimethylpent-2-yl nonyl ester
SpectraBase Compound ID H2UVAtkZW8m
InChI InChI=1S/C24H38O4/c1-6-7-8-9-10-11-14-17-27-22(25)20-15-12-13-16-21(20)23(26)28-19(2)18-24(3,4)5/h12-13,15-16,19H,6-11,14,17-18H2,1-5H3
InChIKey DZPUSHVYCMGOLZ-UHFFFAOYSA-N
Mol Weight 390.6 g/mol
Molecular Formula C24H38O4
Exact Mass 390.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EXpwDHurAuj
Name Phthalic acid, 4,4-dimethylpent-2-yl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 390.277009700 u
Formula C24H38O4
InChI InChI=1S/C24H38O4/c1-6-7-8-9-10-11-14-17-27-22(25)20-15-12-13-16-21(20)23(26)28-19(2)18-24(3,4)5/h12-13,15-16,19H,6-11,14,17-18H2,1-5H3
InChIKey DZPUSHVYCMGOLZ-UHFFFAOYSA-N
Molecular Weight 390.564 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCC)=O)C(OC(C)CC(C)(C)C)=O