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(R,S)-.alpha.-Cyclopentanone-2,8-bis(trifluoromethyl)-4-quinolinemethanol
SpectraBase Compound ID ILFiYFbDFqC
InChI InChI=1S/C17H13F6NO2/c18-16(19,20)11-5-1-3-8-10(15(26)9-4-2-6-12(9)25)7-13(17(21,22)23)24-14(8)11/h1,3,5,7,9,15,26H,2,4,6H2/t9-,15-/m1/s1
InChIKey LZPDTBAPHGNNBO-RFAUZJTJSA-N
Mol Weight 377.29 g/mol
Molecular Formula C17H13F6NO2
Exact Mass 377.085048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TmQ588IAdq
Name (R,S)-.alpha.-Cyclopentanone-2,8-bis(trifluoromethyl)-4-quinolinemethanol
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Formula C17H13F6NO2
InChI InChI=1S/C17H13F6NO2/c18-16(19,20)11-5-1-3-8-10(15(26)9-4-2-6-12(9)25)7-13(17(21,22)23)24-14(8)11/h1,3,5,7,9,15,26H,2,4,6H2/t9-,15-/m1/s1
InChIKey LZPDTBAPHGNNBO-RFAUZJTJSA-N
Literature Reference DOI 10.1002/cjoc.200890231
Molecular Weight 377.286 g/mol
SMILES O[C@@](c1cc(C(F)(F)F)nc2c(cccc12)C(F)(F)F)([C@@]1(CCCC1=O)[H])[H]
SPLASH splash10-001i-9030000000-47f16e0042d64633d896
Source of Spectrum CJC-26-1274-7
Synonyms (S)-2-((R)-(2,8-bis(trifluoromethyl)quinolin-4-yl)(hydroxy)methyl)cyclopentanone (2S)-2-[(R)-[2,8-bis(trifluoromethyl)-4-quinolinyl]-hydroxymethyl]-1-cyclopentanone (2S)-2-[(R)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-hydroxymethyl]cyclopentan-1-one (2S)-2-[(R)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-oxidanyl-methyl]cyclopentan-1-one
Wiley ID 1774506