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

View entire compound with spectra: 1 NMR

Isophthalic acid, 3,7-dimethyloct-6-enyl pentyl ester
SpectraBase Compound ID LFbN3H8fCAg
InChI InChI=1S/C23H34O4/c1-5-6-7-15-26-22(24)20-12-9-13-21(17-20)23(25)27-16-14-19(4)11-8-10-18(2)3/h9-10,12-13,17,19H,5-8,11,14-16H2,1-4H3
InChIKey MTDRXODTLKKFRY-UHFFFAOYSA-N
Mol Weight 374.5 g/mol
Molecular Formula C23H34O4
Exact Mass 374.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DZfLuLsRmq7
Name Isophthalic acid, 3,7-dimethyloct-6-enyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 374.245709571 u
Formula C23H34O4
InChI InChI=1S/C23H34O4/c1-5-6-7-15-26-22(24)20-12-9-13-21(17-20)23(25)27-16-14-19(4)11-8-10-18(2)3/h9-10,12-13,17,19H,5-8,11,14-16H2,1-4H3
InChIKey MTDRXODTLKKFRY-UHFFFAOYSA-N
Molecular Weight 374.521 g/mol
SMILES C1(=CC=CC(=C1)C(OCCC(CCC=C(C)C)C)=O)C(=O)OCCCCC