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Terephthalic acid, decyl 2-methylpent-3-yl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, decyl 2-methylpent-3-yl ester
SpectraBase Compound ID 8pYfTpbJlxk
InChI InChI=1S/C24H38O4/c1-5-7-8-9-10-11-12-13-18-27-23(25)20-14-16-21(17-15-20)24(26)28-22(6-2)19(3)4/h14-17,19,22H,5-13,18H2,1-4H3
InChIKey YJECKUSSPBTYTL-UHFFFAOYSA-N
Mol Weight 390.6 g/mol
Molecular Formula C24H38O4
Exact Mass 390.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B6R34u65Xcg
Name Terephthalic acid, decyl 2-methylpent-3-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.277009700 u
Formula C24H38O4
InChI InChI=1S/C24H38O4/c1-5-7-8-9-10-11-12-13-18-27-23(25)20-14-16-21(17-15-20)24(26)28-22(6-2)19(3)4/h14-17,19,22H,5-13,18H2,1-4H3
InChIKey YJECKUSSPBTYTL-UHFFFAOYSA-N
Molecular Weight 390.564 g/mol
SMILES C(C(OC(C1=CC=C(C(OCCCCCCCCCC)=O)C=C1)=O)CC)(C)C