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Phthalic acid, 2,4-dimethylpent-3-yl dodecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,4-dimethylpent-3-yl dodecyl ester
SpectraBase Compound ID J6KE6XGCr5Q
InChI InChI=1S/C27H44O4/c1-6-7-8-9-10-11-12-13-14-17-20-30-26(28)23-18-15-16-19-24(23)27(29)31-25(21(2)3)22(4)5/h15-16,18-19,21-22,25H,6-14,17,20H2,1-5H3
InChIKey SKVWVZAAEKKUJI-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 CPyqVCjxz3t
Name Phthalic acid, 2,4-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/c1-6-7-8-9-10-11-12-13-14-17-20-30-26(28)23-18-15-16-19-24(23)27(29)31-25(21(2)3)22(4)5/h15-16,18-19,21-22,25H,6-14,17,20H2,1-5H3
InChIKey SKVWVZAAEKKUJI-UHFFFAOYSA-N
Molecular Weight 432.645 g/mol
SMILES C1=C(C(=CC=C1)C(=O)OCCCCCCCCCCCC)C(OC(C(C)C)C(C)C)=O