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

View entire compound with spectra: 1 NMR, and 1 FTIR

Phthalic acid, 4,4-dimethylpent-2-yl dodecyl ester
SpectraBase Compound ID 8WILjv8NFEi
InChI InChI=1S/C27H44O4/c1-6-7-8-9-10-11-12-13-14-17-20-30-25(28)23-18-15-16-19-24(23)26(29)31-22(2)21-27(3,4)5/h15-16,18-19,22H,6-14,17,20-21H2,1-5H3
InChIKey MYPJNTBYKOEXPJ-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 Fzb5YVTD1nU
Name Phthalic acid, 4,4-dimethylpent-2-yl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.323959893 u
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-6-7-8-9-10-11-12-13-14-17-20-30-25(28)23-18-15-16-19-24(23)26(29)31-22(2)21-27(3,4)5/h15-16,18-19,22H,6-14,17,20-21H2,1-5H3
InChIKey MYPJNTBYKOEXPJ-UHFFFAOYSA-N
Molecular Weight 432.645 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCCC)=O)C(OC(C)CC(C)(C)C)=O