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Isophthalic acid, pent-4-enyl tetradecyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, pent-4-enyl tetradecyl ester
SpectraBase Compound ID Lf3jrbIVYZW
InChI InChI=1S/C27H42O4/c1-3-5-7-8-9-10-11-12-13-14-15-17-22-31-27(29)25-20-18-19-24(23-25)26(28)30-21-16-6-4-2/h4,18-20,23H,2-3,5-17,21-22H2,1H3
InChIKey WJUAVPVNYRLUJA-UHFFFAOYSA-N
Mol Weight 430.6 g/mol
Molecular Formula C27H42O4
Exact Mass 430.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hx7ILLljPHY
Name Isophthalic acid, pent-4-enyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 430.308309828 u
Formula C27H42O4
InChI InChI=1S/C27H42O4/c1-3-5-7-8-9-10-11-12-13-14-15-17-22-31-27(29)25-20-18-19-24(23-25)26(28)30-21-16-6-4-2/h4,18-20,23H,2-3,5-17,21-22H2,1H3
InChIKey WJUAVPVNYRLUJA-UHFFFAOYSA-N
Molecular Weight 430.629 g/mol
SMILES C1=CC(=CC(=C1)C(=O)OCCCCCCCCCCCCCC)C(OCCCC=C)=O