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Phthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl pentyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl pentyl ester
SpectraBase Compound ID 7VTXg6pyADM
InChI InChI=1S/C23H30O4/c1-6-7-10-15-26-22(24)20-11-8-9-12-21(20)23(25)27-19(16-18(4)5)14-13-17(2)3/h8-9,11-12,18-19H,2,6-7,10,15-16H2,1,3-5H3
InChIKey FKYBIALJRBHHRQ-UHFFFAOYSA-N
Mol Weight 370.49 g/mol
Molecular Formula C23H30O4
Exact Mass 370.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jw6RDNOzmbJ
Name Phthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 370.214409442 u
Formula C23H30O4
InChI InChI=1S/C23H30O4/c1-6-7-10-15-26-22(24)20-11-8-9-12-21(20)23(25)27-19(16-18(4)5)14-13-17(2)3/h8-9,11-12,18-19H,2,6-7,10,15-16H2,1,3-5H3
InChIKey FKYBIALJRBHHRQ-UHFFFAOYSA-N
Molecular Weight 370.489 g/mol
SMILES C(CCOC(C1=C(C=CC=C1)C(OC(CC(C)C)C#CC(C)=C)=O)=O)CC