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Terephthalic acid, di(dec-4-enyl) ester

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Terephthalic acid, di(dec-4-enyl) ester
SpectraBase Compound ID DIqjP4QmKBc
InChI InChI=1S/C28H42O4/c1-3-5-7-9-11-13-15-17-23-31-27(29)25-19-21-26(22-20-25)28(30)32-24-18-16-14-12-10-8-6-4-2/h11-14,19-22H,3-10,15-18,23-24H2,1-2H3/b13-11+,14-12+
InChIKey RQLZGPDLYCFJON-PHEQNACWSA-N
Mol Weight 442.6 g/mol
Molecular Formula C28H42O4
Exact Mass 442.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ffMtZD8Qut
Name Terephthalic acid, di(dec-4-enyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.308309828 u
Formula C28H42O4
InChI InChI=1S/C28H42O4/c1-3-5-7-9-11-13-15-17-23-31-27(29)25-19-21-26(22-20-25)28(30)32-24-18-16-14-12-10-8-6-4-2/h11-14,19-22H,3-10,15-18,23-24H2,1-2H3/b13-11+,14-12+
InChIKey RQLZGPDLYCFJON-PHEQNACWSA-N
Molecular Weight 442.640 g/mol
SMILES C1(=CC=C(C=C1)C(OCCC\C=C\CCCCC)=O)C(OCCC\C=C\CCCCC)=O