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(4R,6S)-6-[(E)-2-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]ethenyl]-4-hydroxy-2-oxanone
SpectraBase Compound ID 4spmGLjcCCk
InChI InChI=1S/C25H22FNO3/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-19-13-18(28)14-23(29)30-19/h1-4,7-12,16,18-19,28H,5-6,13-14H2/b12-11+/t18-,19-/m1/s1
InChIKey XJVKVAFYQRWVAJ-MCBHFWOFSA-N
Mol Weight 403.45 g/mol
Molecular Formula C25H22FNO3
Exact Mass 403.158372 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HzLLGuXTGDp
Name (4R,6S)-6-[(E)-2-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]ethenyl]-4-hydroxy-2-oxanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22FNO3
InChI InChI=1S/C25H22FNO3/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-19-13-18(28)14-23(29)30-19/h1-4,7-12,16,18-19,28H,5-6,13-14H2/b12-11+/t18-,19-/m1/s1
InChIKey XJVKVAFYQRWVAJ-MCBHFWOFSA-N
Molecular Weight 403.453 g/mol
SMILES O[C@]1(CC(O[C@](\C=C\c2c(nc3c(c2-c2ccc(cc2)F)cccc3)C2CC2)(C1)[H])=O)[H]
SPLASH splash10-000i-0090000000-a03e385d31cdb50029c2
Source of Spectrum AJ-68-362-2
Synonyms (4R,6S)-6-[(E)-2-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]vinyl]-4-hydroxy-tetrahydropyran-2-one (4R,6S)-6-[(E)-2-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]ethenyl]-4-hydroxyoxan-2-one (4R,6S)-6-[(E)-2-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]ethenyl]-4-oxidanyl-oxan-2-one
Wiley ID 773003