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Terephthalic acid, but-3-enyl tetradecyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, but-3-enyl tetradecyl ester
SpectraBase Compound ID FEXcXhhBYu9
InChI InChI=1S/C26H40O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-22-30-26(28)24-19-17-23(18-20-24)25(27)29-21-6-4-2/h4,17-20H,2-3,5-16,21-22H2,1H3
InChIKey UDJUTGZTMZZFSI-UHFFFAOYSA-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 DjQj4Nu02zw
Name Terephthalic acid, but-3-enyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 416.292659764 u
Formula C26H40O4
InChI InChI=1S/C26H40O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-22-30-26(28)24-19-17-23(18-20-24)25(27)29-21-6-4-2/h4,17-20H,2-3,5-16,21-22H2,1H3
InChIKey UDJUTGZTMZZFSI-UHFFFAOYSA-N
Molecular Weight 416.602 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCCCCCCCCCC)=O)C(OCCC=C)=O