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bis(Dichloroacetyl)diethylstilbestrol

View entire compound with spectra: 1 NMR

bis(Dichloroacetyl)diethylstilbestrol
SpectraBase Compound ID 1JNhdOcTtle
InChI InChI=1S/C22H20Cl4O4/c1-3-17(13-5-9-15(10-6-13)29-21(27)19(23)24)18(4-2)14-7-11-16(12-8-14)30-22(28)20(25)26/h5-12,19-20H,3-4H2,1-2H3/b18-17+
InChIKey AWLBXSXCUZWRPU-ISLYRVAYSA-N
Mol Weight 490.2 g/mol
Molecular Formula C22H20Cl4O4
Exact Mass 488.01157 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IqnpyFmYJ05
Name bis(Dichloroacetyl)diethylstilbestrol
Comments Computed using HOSE algorithm
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Exact Mass 488.011569920 u
Formula C22H20Cl4O4
InChI InChI=1S/C22H20Cl4O4/c1-3-17(13-5-9-15(10-6-13)29-21(27)19(23)24)18(4-2)14-7-11-16(12-8-14)30-22(28)20(25)26/h5-12,19-20H,3-4H2,1-2H3/b18-17+
InChIKey AWLBXSXCUZWRPU-ISLYRVAYSA-N
Molecular Weight 490.210 g/mol
SMILES CC\C(=C\(CC)C1=CC=C(OC(=O)C(Cl)Cl)C=C1)C1=CC=C(OC(=O)C(Cl)Cl)C=C1