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Glutaric acid, hex-4-yn-3-yl 2-isopropoxyphenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, hex-4-yn-3-yl 2-isopropoxyphenyl ester
SpectraBase Compound ID Fr273TMp2Ff
InChI InChI=1S/C20H26O5/c1-5-10-16(6-2)24-19(21)13-9-14-20(22)25-18-12-8-7-11-17(18)23-15(3)4/h7-8,11-12,15-16H,6,9,13-14H2,1-4H3
InChIKey HHSHFXAVSHGRAF-UHFFFAOYSA-N
Mol Weight 346.42 g/mol
Molecular Formula C20H26O5
Exact Mass 346.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 40swVAHSkMR
Name Glutaric acid, hex-4-yn-3-yl 2-isopropoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 346.178023932 u
Formula C20H26O5
InChI InChI=1S/C20H26O5/c1-5-10-16(6-2)24-19(21)13-9-14-20(22)25-18-12-8-7-11-17(18)23-15(3)4/h7-8,11-12,15-16H,6,9,13-14H2,1-4H3
InChIKey HHSHFXAVSHGRAF-UHFFFAOYSA-N
Molecular Weight 346.423 g/mol
SMILES C(CCC(OC(CC)C#CC)=O)C(OC=1C(=CC=CC1)OC(C)C)=O