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Succinic acid, but-3-yn-2-yl 2,2,2-trichloroethyl ester
SpectraBase Compound ID G63YSOrWjBQ
InChI InChI=1S/C10H11Cl3O4/c1-3-7(2)17-9(15)5-4-8(14)16-6-10(11,12)13/h1,7H,4-6H2,2H3
InChIKey JORUEHRSAZFKGR-UHFFFAOYSA-N
Mol Weight 301.55 g/mol
Molecular Formula C10H11Cl3O4
Exact Mass 299.972292 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CZ25W0WgNkv
Name Succinic acid, but-3-yn-2-yl 2,2,2-trichloroethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 299.972291930 u
Formula C10H11Cl3O4
InChI InChI=1S/C10H11Cl3O4/c1-3-7(2)17-9(15)5-4-8(14)16-6-10(11,12)13/h1,7H,4-6H2,2H3
InChIKey JORUEHRSAZFKGR-UHFFFAOYSA-N
Molecular Weight 301.553 g/mol
SMILES C(CC(OC(C#C)C)=O)C(OCC(Cl)(Cl)Cl)=O