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Terephthalic acid, but-3-enyl tridecyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, but-3-enyl tridecyl ester
SpectraBase Compound ID KrJJMHyv4UC
InChI InChI=1S/C25H38O4/c1-3-5-7-8-9-10-11-12-13-14-15-21-29-25(27)23-18-16-22(17-19-23)24(26)28-20-6-4-2/h4,16-19H,2-3,5-15,20-21H2,1H3
InChIKey YCEVAJOGSYXNPQ-UHFFFAOYSA-N
Mol Weight 402.6 g/mol
Molecular Formula C25H38O4
Exact Mass 402.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BxNEMyPvMFY
Name Terephthalic acid, but-3-enyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 402.277009700 u
Formula C25H38O4
InChI InChI=1S/C25H38O4/c1-3-5-7-8-9-10-11-12-13-14-15-21-29-25(27)23-18-16-22(17-19-23)24(26)28-20-6-4-2/h4,16-19H,2-3,5-15,20-21H2,1H3
InChIKey YCEVAJOGSYXNPQ-UHFFFAOYSA-N
Molecular Weight 402.575 g/mol
SMILES C1(=CC=C(C=C1)C(OCCCCCCCCCCCCC)=O)C(OCCC=C)=O