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Phthalic acid, but-3-yn-2-yl 2-ethylhexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, but-3-yn-2-yl 2-ethylhexyl ester
SpectraBase Compound ID 1UPN0DwMlbj
InChI InChI=1S/C20H26O4/c1-5-8-11-16(7-3)14-23-19(21)17-12-9-10-13-18(17)20(22)24-15(4)6-2/h2,9-10,12-13,15-16H,5,7-8,11,14H2,1,3-4H3
InChIKey HRFKSILDECECFR-UHFFFAOYSA-N
Mol Weight 330.42 g/mol
Molecular Formula C20H26O4
Exact Mass 330.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID UzGX68F2V2
Name Phthalic acid, but-3-yn-2-yl 2-ethylhexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 330.183109313 u
Formula C20H26O4
InChI InChI=1S/C20H26O4/c1-5-8-11-16(7-3)14-23-19(21)17-12-9-10-13-18(17)20(22)24-15(4)6-2/h2,9-10,12-13,15-16H,5,7-8,11,14H2,1,3-4H3
InChIKey HRFKSILDECECFR-UHFFFAOYSA-N
Molecular Weight 330.424 g/mol
SMILES C1(=C(C=CC=C1)C(OCC(CC)CCCC)=O)C(OC(C#C)C)=O