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

View entire compound with spectra: 1 NMR

Terephthalic acid, 2-methylpent-3-yl nonyl ester
SpectraBase Compound ID q6Ik4MkMyu
InChI InChI=1S/C23H36O4/c1-5-7-8-9-10-11-12-17-26-22(24)19-13-15-20(16-14-19)23(25)27-21(6-2)18(3)4/h13-16,18,21H,5-12,17H2,1-4H3
InChIKey AVGRHDKCYPNXKT-UHFFFAOYSA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H36O4
Exact Mass 376.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Maxf5P1sny
Name Terephthalic acid, 2-methylpent-3-yl nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.261359635 u
Formula C23H36O4
InChI InChI=1S/C23H36O4/c1-5-7-8-9-10-11-12-17-26-22(24)19-13-15-20(16-14-19)23(25)27-21(6-2)18(3)4/h13-16,18,21H,5-12,17H2,1-4H3
InChIKey AVGRHDKCYPNXKT-UHFFFAOYSA-N
Molecular Weight 376.537 g/mol
SMILES C(C(OC(C1=CC=C(C(OCCCCCCCCC)=O)C=C1)=O)CC)(C)C