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Isophthalic acid, 3,7-dimethyloct-6-enyl hexyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 3,7-dimethyloct-6-enyl hexyl ester
SpectraBase Compound ID C0haVRI6ds
InChI InChI=1S/C24H36O4/c1-5-6-7-8-16-27-23(25)21-13-10-14-22(18-21)24(26)28-17-15-20(4)12-9-11-19(2)3/h10-11,13-14,18,20H,5-9,12,15-17H2,1-4H3
InChIKey FJSLZXKXWNBHHY-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 AWC48Zpk4sb
Name Isophthalic acid, 3,7-dimethyloct-6-enyl hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 388.261359635 u
Formula C24H36O4
InChI InChI=1S/C24H36O4/c1-5-6-7-8-16-27-23(25)21-13-10-14-22(18-21)24(26)28-17-15-20(4)12-9-11-19(2)3/h10-11,13-14,18,20H,5-9,12,15-17H2,1-4H3
InChIKey FJSLZXKXWNBHHY-UHFFFAOYSA-N
Molecular Weight 388.548 g/mol
SMILES C1(=CC=CC(=C1)C(OCCC(CCC=C(C)C)C)=O)C(=O)OCCCCCC