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Phthalic acid, 2,2-dimethylpent-3-yl nonyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,2-dimethylpent-3-yl nonyl ester
SpectraBase Compound ID 6uTPVJ64qRH
InChI InChI=1S/C24H38O4/c1-6-8-9-10-11-12-15-18-27-22(25)19-16-13-14-17-20(19)23(26)28-21(7-2)24(3,4)5/h13-14,16-17,21H,6-12,15,18H2,1-5H3
InChIKey OSEJPVJYQHMJID-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 79Xbld4yvgw
Name Phthalic acid, 2,2-dimethylpent-3-yl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 390.277009700 u
Formula C24H38O4
InChI InChI=1S/C24H38O4/c1-6-8-9-10-11-12-15-18-27-22(25)19-16-13-14-17-20(19)23(26)28-21(7-2)24(3,4)5/h13-14,16-17,21H,6-12,15,18H2,1-5H3
InChIKey OSEJPVJYQHMJID-UHFFFAOYSA-N
Molecular Weight 390.564 g/mol
SMILES C1=CC(=C(C=C1)C(OCCCCCCCCC)=O)C(OC(CC)C(C)(C)C)=O