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Glutaric acid, hex-4-yn-3-yl pentachlorophenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, hex-4-yn-3-yl pentachlorophenyl ester
SpectraBase Compound ID DQnOQIV1C5u
InChI InChI=1S/C17H15Cl5O4/c1-3-6-9(4-2)25-10(23)7-5-8-11(24)26-17-15(21)13(19)12(18)14(20)16(17)22/h9H,4-5,7-8H2,1-2H3
InChIKey IWPAMWUQCTZWKR-UHFFFAOYSA-N
Mol Weight 460.6 g/mol
Molecular Formula C17H15Cl5O4
Exact Mass 457.941297 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 22zc8h9nnUa
Name Glutaric acid, hex-4-yn-3-yl pentachlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 457.941297459 u
Formula C17H15Cl5O4
InChI InChI=1S/C17H15Cl5O4/c1-3-6-9(4-2)25-10(23)7-5-8-11(24)26-17-15(21)13(19)12(18)14(20)16(17)22/h9H,4-5,7-8H2,1-2H3
InChIKey IWPAMWUQCTZWKR-UHFFFAOYSA-N
Molecular Weight 460.568 g/mol
SMILES C(CCC(OC(CC)C#CC)=O)C(OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)=O