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Terephthalic acid, dec-4-enyl pentyl ester
SpectraBase Compound ID 6md0zIDEh9m
InChI InChI=1S/C23H34O4/c1-3-5-7-8-9-10-11-13-19-27-23(25)21-16-14-20(15-17-21)22(24)26-18-12-6-4-2/h9-10,14-17H,3-8,11-13,18-19H2,1-2H3/b10-9+
InChIKey TVJGXPRHTCQEOU-MDZDMXLPSA-N
Mol Weight 374.5 g/mol
Molecular Formula C23H34O4
Exact Mass 374.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID InZmnTfYtwR
Name Terephthalic acid, dec-4-enyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 374.245709571 u
Formula C23H34O4
InChI InChI=1S/C23H34O4/c1-3-5-7-8-9-10-11-13-19-27-23(25)21-16-14-20(15-17-21)22(24)26-18-12-6-4-2/h9-10,14-17H,3-8,11-13,18-19H2,1-2H3/b10-9+
InChIKey TVJGXPRHTCQEOU-MDZDMXLPSA-N
Molecular Weight 374.521 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCC)=O)C(OCCC\C=C\CCCCC)=O