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Terephthalic acid, dodecyl heptyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, dodecyl heptyl ester
SpectraBase Compound ID EsXZHTh13v5
InChI InChI=1S/C27H44O4/c1-3-5-7-9-10-11-12-13-15-17-23-31-27(29)25-20-18-24(19-21-25)26(28)30-22-16-14-8-6-4-2/h18-21H,3-17,22-23H2,1-2H3
InChIKey LPWOAZKCBHQFAN-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9xptXJzIXL6
Name Terephthalic acid, dodecyl heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.323959893 u
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-3-5-7-9-10-11-12-13-15-17-23-31-27(29)25-20-18-24(19-21-25)26(28)30-22-16-14-8-6-4-2/h18-21H,3-17,22-23H2,1-2H3
InChIKey LPWOAZKCBHQFAN-UHFFFAOYSA-N
Molecular Weight 432.645 g/mol
SMILES C1=C(C=CC(=C1)C(OCCCCCCC)=O)C(OCCCCCCCCCCCC)=O