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DIETHYL-1-BROMO-1-(4,6-DIBROMO-5-METHYL-3-OXO-CYCLOHEX-1-ENYL)-ETHYL-PHOSPHONATE;ISOMER-A
SpectraBase Compound ID JmBdJdzkS7w
InChI InChI=1S/C13H20Br3O4P/c1-5-19-21(18,20-6-2)13(4,16)9-7-10(17)12(15)8(3)11(9)14/h7-8,11-12H,5-6H2,1-4H3
InChIKey BTKJIRMPYXSRNJ-UHFFFAOYSA-N
Mol Weight 510.98 g/mol
Molecular Formula C13H20Br3O4P
Exact Mass 507.864935 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IXrIlL203sq
Name 4,6-bis(bromanyl)-3-(1-bromanyl-1-diethoxyphosphoryl-ethyl)-5-methyl-cyclohex-2-en-1-one
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Formula C13H20Br3O4P
InChI InChI=1S/C13H20Br3O4P/c1-5-19-21(18,20-6-2)13(4,16)9-7-10(17)12(15)8(3)11(9)14/h7-8,11-12H,5-6H2,1-4H3
InChIKey BTKJIRMPYXSRNJ-UHFFFAOYSA-N
Molecular Weight 510.985 g/mol
SMILES C1(C(P(=O)(OCC)OCC)(Br)C)=CC(=O)C(C(C1Br)C)Br
SPLASH splash10-001i-0046900000-11d5d2508b45132366f5
Source of Spectrum KC-0-1460-12
Synonyms 4,6-Dibromo-3-(1-bromo-1-diethoxyphosphoryl-ethyl)-5-methyl-cyclohex-2-en-1-one 4,6-Dibromo-3-(1-bromo-1-diethoxyphosphorylethyl)-5-methyl-1-cyclohex-2-enone
Wiley ID 821906