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

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

Phthalic acid, 4,4-dimethylpent-2-yl decyl ester
SpectraBase Compound ID IS1arPjH9WV
InChI InChI=1S/C25H40O4/c1-6-7-8-9-10-11-12-15-18-28-23(26)21-16-13-14-17-22(21)24(27)29-20(2)19-25(3,4)5/h13-14,16-17,20H,6-12,15,18-19H2,1-5H3
InChIKey IWOMJZFSJYAGMT-UHFFFAOYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Z6ubjp594P
Name Phthalic acid, 4,4-dimethylpent-2-yl decyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.292659764 u
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-6-7-8-9-10-11-12-15-18-28-23(26)21-16-13-14-17-22(21)24(27)29-20(2)19-25(3,4)5/h13-14,16-17,20H,6-12,15,18-19H2,1-5H3
InChIKey IWOMJZFSJYAGMT-UHFFFAOYSA-N
Molecular Weight 404.591 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCC)=O)C(OC(C)CC(C)(C)C)=O