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Terephthalic acid, dodec-2-enyl isohexyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, dodec-2-enyl isohexyl ester
SpectraBase Compound ID 8LBHAqmCyjM
InChI InChI=1S/C26H40O4/c1-4-5-6-7-8-9-10-11-12-13-20-29-25(27)23-16-18-24(19-17-23)26(28)30-21-14-15-22(2)3/h12-13,16-19,22H,4-11,14-15,20-21H2,1-3H3/b13-12+
InChIKey QDAQNHWDDQHSPE-OUKQBFOZSA-N
Mol Weight 416.6 g/mol
Molecular Formula C26H40O4
Exact Mass 416.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L8xTjjnsxI0
Name Terephthalic acid, dodec-2-enyl isohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.292659764 u
Formula C26H40O4
InChI InChI=1S/C26H40O4/c1-4-5-6-7-8-9-10-11-12-13-20-29-25(27)23-16-18-24(19-17-23)26(28)30-21-14-15-22(2)3/h12-13,16-19,22H,4-11,14-15,20-21H2,1-3H3/b13-12+
InChIKey QDAQNHWDDQHSPE-OUKQBFOZSA-N
Molecular Weight 416.602 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCC(C)C)=O)C(OC\C=C\CCCCCCCCC)=O