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Phthalic acid, 3-methylbut-3-enyl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-methylbut-3-enyl undecyl ester
SpectraBase Compound ID CC6MPVVSVE3
InChI InChI=1S/C24H36O4/c1-4-5-6-7-8-9-10-11-14-18-27-23(25)21-15-12-13-16-22(21)24(26)28-19-17-20(2)3/h12-13,15-16H,2,4-11,14,17-19H2,1,3H3
InChIKey AYJKJJRCSIHIOD-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 EST8yGek7gE
Name Phthalic acid, 3-methylbut-3-enyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 388.261359635 u
Formula C24H36O4
InChI InChI=1S/C24H36O4/c1-4-5-6-7-8-9-10-11-14-18-27-23(25)21-15-12-13-16-22(21)24(26)28-19-17-20(2)3/h12-13,15-16H,2,4-11,14,17-19H2,1,3H3
InChIKey AYJKJJRCSIHIOD-UHFFFAOYSA-N
Molecular Weight 388.548 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCCCCC)=O)C(OCCC(C)=C)=O