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(3R,4R)-3-Hydroxy-5-nitro-4-[2-(trifluoromethyl)phenyl]pentan-2-one
SpectraBase Compound ID 4bPAQ87ORhI
InChI InChI=1S/C12H12F3NO4/c1-7(17)11(18)9(6-16(19)20)8-4-2-3-5-10(8)12(13,14)15/h2-5,9,11,18H,6H2,1H3/t9-,11-/m0/s1
InChIKey VTYQXHBILZEGAH-ONGXEEELSA-N
Mol Weight 291.23 g/mol
Molecular Formula C12H12F3NO4
Exact Mass 291.071842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Er9kFW1dOf4
Name (3R,4R)-3-Hydroxy-5-nitro-4-[2-(trifluoromethyl)phenyl]pentan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12F3NO4
InChI InChI=1S/C12H12F3NO4/c1-7(17)11(18)9(6-16(19)20)8-4-2-3-5-10(8)12(13,14)15/h2-5,9,11,18H,6H2,1H3/t9-,11-/m0/s1
InChIKey VTYQXHBILZEGAH-ONGXEEELSA-N
Literature Reference DOI 10.1002/adsc.200404037
Molecular Weight 291.226 g/mol
SMILES O[C@@](C(C)=O)([C@@](C[N+](=O)[O-])(c1ccccc1C(F)(F)F)[H])[H]
SPLASH splash10-0ul0-1910000000-548d126c94c376834bc9
Source of Spectrum ASC-346-1162-anti_10e
Synonyms (3R,4R)-3-hydroxy-5-nitro-4-(2-(trifluoromethyl)phenyl)pentan-2-one
Wiley ID 1767672