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Phthalic acid, dodecyl isohexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, dodecyl isohexyl ester
SpectraBase Compound ID HgZfZpyXvZr
InChI InChI=1S/C26H42O4/c1-4-5-6-7-8-9-10-11-12-15-20-29-25(27)23-18-13-14-19-24(23)26(28)30-21-16-17-22(2)3/h13-14,18-19,22H,4-12,15-17,20-21H2,1-3H3
InChIKey QAEVRUNCAYYTBC-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C26H42O4
Exact Mass 418.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Jvo39EFnRz
Name Phthalic acid, dodecyl isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-4-5-6-7-8-9-10-11-12-15-20-29-25(27)23-18-13-14-19-24(23)26(28)30-21-16-17-22(2)3/h13-14,18-19,22H,4-12,15-17,20-21H2,1-3H3
InChIKey QAEVRUNCAYYTBC-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES C1=C(C(=CC=C1)C(=O)OCCCC(C)C)C(=O)OCCCCCCCCCCCC