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(S)-3-Methyl-6-methylene-4-((R)-pentafluorophenyl-pentafluorophenylamino-methyl)-cyclohex-2-enone
SpectraBase Compound ID 5v6n3dv3BRS
InChI InChI=1S/C21H11F10NO/c1-5-4-8(33)6(2)3-7(5)20(9-10(22)12(24)14(26)13(25)11(9)23)32-21-18(30)16(28)15(27)17(29)19(21)31/h4,7,20,32H,2-3H2,1H3/t7-,20+/m0/s1
InChIKey HUSCDQHZEORMOB-SVWIBVJCSA-N
Mol Weight 483.31 g/mol
Molecular Formula C21H11F10NO
Exact Mass 483.068096 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cvw6HMEs0N4
Name (S)-3-Methyl-6-methylene-4-((R)-pentafluorophenyl-pentafluorophenylamino-methyl)-cyclohex-2-enone
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Formula C21H11F10NO
InChI InChI=1S/C21H11F10NO/c1-5-4-8(33)6(2)3-7(5)20(9-10(22)12(24)14(26)13(25)11(9)23)32-21-18(30)16(28)15(27)17(29)19(21)31/h4,7,20,32H,2-3H2,1H3/t7-,20+/m0/s1
InChIKey HUSCDQHZEORMOB-SVWIBVJCSA-N
Molecular Weight 483.309 g/mol
SMILES N(c1c(c(F)c(c(c1F)F)F)F)[C@@](c1c(c(F)c(c(c1F)F)F)F)([C@@]1(C(=CC(C(C1)=C)=O)C)[H])[H]
SPLASH splash10-074i-0903000000-6839e9fa33b9abd1a7a4
Source of Spectrum KC-61-3850-11
Synonyms (4S)-3-methyl-6-methylene-4-[(R)-(2,3,4,5,6-pentafluoroanilino)(2,3,4,5,6-pentafluorophenyl)methyl]-2-cyclohexen-1-one 3-Methyl-6-methylene-4-(pentafluorophenylpentafluorophenylaminomethyl)cyclohex-2-enone
Wiley ID 1628646