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Phthalic acid, 3-methylphenyl non-5-yn-3-yl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-methylphenyl non-5-yn-3-yl ester
SpectraBase Compound ID IyFUC8fVjJm
InChI InChI=1S/C24H26O4/c1-4-6-7-8-13-19(5-2)27-23(25)21-15-9-10-16-22(21)24(26)28-20-14-11-12-18(3)17-20/h9-12,14-17,19H,4-6,13H2,1-3H3
InChIKey KPJNCRJJCXXEBJ-UHFFFAOYSA-N
Mol Weight 378.47 g/mol
Molecular Formula C24H26O4
Exact Mass 378.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EgbzJVRLDwC
Name Phthalic acid, 3-methylphenyl non-5-yn-3-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 378.183109313 u
Formula C24H26O4
InChI InChI=1S/C24H26O4/c1-4-6-7-8-13-19(5-2)27-23(25)21-15-9-10-16-22(21)24(26)28-20-14-11-12-18(3)17-20/h9-12,14-17,19H,4-6,13H2,1-3H3
InChIKey KPJNCRJJCXXEBJ-UHFFFAOYSA-N
Molecular Weight 378.468 g/mol
SMILES C(C(OC(=O)C1=C(C=CC=C1)C(OC1=CC(C)=CC=C1)=O)CC#CCCC)C