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(1R*,4S*,7R*)-1,2,4,7,7-Pentachloro-3-methoxy-5-(4-bromophenyl)bicyclo[2.2.1]hept-2-ene
SpectraBase Compound ID 9ipVUP8TOYT
InChI InChI=1S/C14H10BrCl5O/c1-21-11-10(16)12(17)6-9(13(11,18)14(12,19)20)7-2-4-8(15)5-3-7/h2-5,9H,6H2,1H3/t9?,12-,13+/m1/s1
InChIKey LIXIMXVQRNAGBV-MDGPAFOCSA-N
Mol Weight 451.4 g/mol
Molecular Formula C14H10BrCl5O
Exact Mass 447.835766 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DzED0FsHSVN
Name (1R*,4S*,7R*)-1,2,4,7,7-Pentachloro-3-methoxy-5-(4-bromophenyl)bicyclo[2.2.1]hept-2-ene
Alternate Name(s) (1R,4S)-5-(4-bromophenyl)-1,2,4,7,7-pentachloro-3-methoxybicyclo[2.2.1]hept-2-ene (1S,4R)-6-(4-bromophenyl)-1,3,4,7,7-pentachlorobicyclo[2.2.1]hept-2-en-2-yl methyl ether
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Formula C14H10BrCl5O
InChI InChI=1S/C14H10BrCl5O/c1-21-11-10(16)12(17)6-9(13(11,18)14(12,19)20)7-2-4-8(15)5-3-7/h2-5,9H,6H2,1H3/t9?,12-,13+/m1/s1
InChIKey LIXIMXVQRNAGBV-MDGPAFOCSA-N
Molecular Weight 451.402 g/mol
SMILES [C@@]12(C([C@@](Cl)(CC2c2ccc(cc2)Br)C(=C1OC)Cl)(Cl)Cl)Cl
SPLASH splash10-0f89-0290000000-087c985b922ff5ed9a5a
Source of Spectrum J-60-5933-15
Wiley ID 1387040