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.alpha.-[2-Hydroxyphenyl]-2,4-dichlorocinnamic acid-.gamma.-lactone
SpectraBase Compound ID 64sezJRau9s
InChI InChI=1S/C15H8Cl2O2/c16-10-6-5-9(13(17)8-10)7-12-11-3-1-2-4-14(11)19-15(12)18/h1-8H/b12-7+
InChIKey CIWAEXHXVDGISR-KPKJPENVSA-N
Mol Weight 291.13 g/mol
Molecular Formula C15H8Cl2O2
Exact Mass 289.990135 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DgjZQy0GY9Q
Name .alpha.-[2-Hydroxyphenyl]-2,4-dichlorocinnamic acid-.gamma.-lactone
Comments Computed using HOSE algorithm
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Exact Mass 289.990134896 u
Formula C15H8Cl2O2
InChI InChI=1S/C15H8Cl2O2/c16-10-6-5-9(13(17)8-10)7-12-11-3-1-2-4-14(11)19-15(12)18/h1-8H/b12-7+
InChIKey CIWAEXHXVDGISR-KPKJPENVSA-N
Molecular Weight 291.133 g/mol
SMILES C12=C(C=CC=C2)\C(=C/C2=C(C=C(C=C2)Cl)Cl)C(O1)=O