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Terephthalic acid, 3,7-dimethylocta-2,6-dienyl butyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Terephthalic acid, 3,7-dimethylocta-2,6-dienyl butyl ester
SpectraBase Compound ID Ii3FMA1h92H
InChI InChI=1S/C22H30O4/c1-5-6-15-25-21(23)19-10-12-20(13-11-19)22(24)26-16-14-18(4)9-7-8-17(2)3/h8,10-14H,5-7,9,15-16H2,1-4H3/b18-14+
InChIKey SCAJNJAQOJLATH-NBVRZTHBSA-N
Mol Weight 358.48 g/mol
Molecular Formula C22H30O4
Exact Mass 358.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G0HwyQIVSNQ
Name Terephthalic acid, 3,7-dimethylocta-2,6-dienyl butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 358.214409442 u
Formula C22H30O4
InChI InChI=1S/C22H30O4/c1-5-6-15-25-21(23)19-10-12-20(13-11-19)22(24)26-16-14-18(4)9-7-8-17(2)3/h8,10-14H,5-7,9,15-16H2,1-4H3/b18-14+
InChIKey SCAJNJAQOJLATH-NBVRZTHBSA-N
Molecular Weight 358.478 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCC)=O)C(OC\C=C/(C)CCC=C(C)C)=O