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Isophthalic acid, pent-4-enyl undecyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, pent-4-enyl undecyl ester
SpectraBase Compound ID 7bB9Qf55Pe3
InChI InChI=1S/C24H36O4/c1-3-5-7-8-9-10-11-12-14-19-28-24(26)22-17-15-16-21(20-22)23(25)27-18-13-6-4-2/h4,15-17,20H,2-3,5-14,18-19H2,1H3
InChIKey ZSFHQILPYXWXJG-UHFFFAOYSA-N
Mol Weight 388.5 g/mol
Molecular Formula C24H36O4
Exact Mass 388.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EiUMntAN4d2
Name Isophthalic acid, pent-4-enyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 388.261359635 u
Formula C24H36O4
InChI InChI=1S/C24H36O4/c1-3-5-7-8-9-10-11-12-14-19-28-24(26)22-17-15-16-21(20-22)23(25)27-18-13-6-4-2/h4,15-17,20H,2-3,5-14,18-19H2,1H3
InChIKey ZSFHQILPYXWXJG-UHFFFAOYSA-N
Molecular Weight 388.548 g/mol
SMILES C1=CC(=CC(=C1)C(=O)OCCCCCCCCCCC)C(OCCCC=C)=O