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Glutaric acid, hex-4-yn-3-yl 2,4,5-trichlorophenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, hex-4-yn-3-yl 2,4,5-trichlorophenyl ester
SpectraBase Compound ID 8BB3IeUqpfi
InChI InChI=1S/C17H17Cl3O4/c1-3-6-11(4-2)23-16(21)7-5-8-17(22)24-15-10-13(19)12(18)9-14(15)20/h9-11H,4-5,7-8H2,1-2H3
InChIKey XIIZFAUNSMFTFK-UHFFFAOYSA-N
Mol Weight 391.68 g/mol
Molecular Formula C17H17Cl3O4
Exact Mass 390.019242 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IoVrbmKZlve
Name Glutaric acid, hex-4-yn-3-yl 2,4,5-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 390.019242123 u
Formula C17H17Cl3O4
InChI InChI=1S/C17H17Cl3O4/c1-3-6-11(4-2)23-16(21)7-5-8-17(22)24-15-10-13(19)12(18)9-14(15)20/h9-11H,4-5,7-8H2,1-2H3
InChIKey XIIZFAUNSMFTFK-UHFFFAOYSA-N
Molecular Weight 391.678 g/mol
SMILES C(CCC(OC(CC)C#CC)=O)C(OC1=C(C=C(C(=C1)Cl)Cl)Cl)=O