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

View entire compound with spectra: 1 NMR

Phthalic acid, 2,2-dimethylpent-3-yl dodecyl ester
SpectraBase Compound ID mN390p7WSu
InChI InChI=1S/C27H44O4/c1-6-8-9-10-11-12-13-14-15-18-21-30-25(28)22-19-16-17-20-23(22)26(29)31-24(7-2)27(3,4)5/h16-17,19-20,24H,6-15,18,21H2,1-5H3
InChIKey LUNSRZYBCFFXNG-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LFEZGSZPMEx
Name Phthalic acid, 2,2-dimethylpent-3-yl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.323959893 u
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-6-8-9-10-11-12-13-14-15-18-21-30-25(28)22-19-16-17-20-23(22)26(29)31-24(7-2)27(3,4)5/h16-17,19-20,24H,6-15,18,21H2,1-5H3
InChIKey LUNSRZYBCFFXNG-UHFFFAOYSA-N
Molecular Weight 432.645 g/mol
SMILES C1=CC(=C(C=C1)C(OCCCCCCCCCCCC)=O)C(OC(CC)C(C)(C)C)=O