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Terephthalic acid, but-3-enyl hexadecyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, but-3-enyl hexadecyl ester
SpectraBase Compound ID LcP5nxBgbV1
InChI InChI=1S/C28H44O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-24-32-28(30)26-21-19-25(20-22-26)27(29)31-23-6-4-2/h4,19-22H,2-3,5-18,23-24H2,1H3
InChIKey XCVVRVDBEWZCDT-UHFFFAOYSA-N
Mol Weight 444.7 g/mol
Molecular Formula C28H44O4
Exact Mass 444.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7wWXPrEk2iz
Name Terephthalic acid, but-3-enyl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 444.323959893 u
Formula C28H44O4
InChI InChI=1S/C28H44O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-24-32-28(30)26-21-19-25(20-22-26)27(29)31-23-6-4-2/h4,19-22H,2-3,5-18,23-24H2,1H3
InChIKey XCVVRVDBEWZCDT-UHFFFAOYSA-N
Molecular Weight 444.656 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCCCCCCCCCCCC)=O)C(OCCC=C)=O