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

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

Phthalic acid, dodecyl 4-methylpent-2-yl ester
SpectraBase Compound ID BXzc3HmHlqU
InChI InChI=1S/C26H42O4/c1-5-6-7-8-9-10-11-12-13-16-19-29-25(27)23-17-14-15-18-24(23)26(28)30-22(4)20-21(2)3/h14-15,17-18,21-22H,5-13,16,19-20H2,1-4H3
InChIKey DZBKGUDABZIEID-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 2LgGhIrc72Q
Name Phthalic acid, dodecyl 4-methylpent-2-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-5-6-7-8-9-10-11-12-13-16-19-29-25(27)23-17-14-15-18-24(23)26(28)30-22(4)20-21(2)3/h14-15,17-18,21-22H,5-13,16,19-20H2,1-4H3
InChIKey DZBKGUDABZIEID-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCCC)=O)C(OC(C)CC(C)C)=O