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(2S)-1-[(E)-4,4,4-trifluoro-3-keto-but-1-enyl]proline
SpectraBase Compound ID BkExS8OGHrT
InChI InChI=1S/C9H10F3NO3/c10-9(11,12)7(14)3-5-13-4-1-2-6(13)8(15)16/h3,5-6H,1-2,4H2,(H,15,16)/b5-3+/t6-/m0/s1
InChIKey CRARUCXWDNEBTJ-QVQDZQDPSA-N
Mol Weight 237.18 g/mol
Molecular Formula C9H10F3NO3
Exact Mass 237.061278 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HOhNmryoBfi
Name (2S)-1-[(E)-4,4,4-trifluoro-3-keto-but-1-enyl]proline
Comments Less than 3 mono-isotopic peaks
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Formula C9H10F3NO3
InChI InChI=1S/C9H10F3NO3/c10-9(11,12)7(14)3-5-13-4-1-2-6(13)8(15)16/h3,5-6H,1-2,4H2,(H,15,16)/b5-3+/t6-/m0/s1
InChIKey CRARUCXWDNEBTJ-QVQDZQDPSA-N
Molecular Weight 237.178 g/mol
SMILES OC([C@]1(N(\C=C\C(C(F)(F)F)=O)CCC1)[H])=O
SPLASH splash10-000i-0090000000-a5e3c0a7d6f5702b0724
Source of Spectrum F-56-7269-3
Synonyms (2S)-1-[(E)-4,4,4-trifluoro-3-keto-but-1-enyl]pyrrolidin-1-ium-2-carboxylate (2S)-1-[(E)-4,4,4-trifluoro-3-oxo-but-1-enyl]pyrrolidin-1-ium-2-carboxylate (2S)-1-[(E)-4,4,4-trifluoro-3-oxo-but-1-enyl]pyrrolidine-2-carboxylic acid (2S)-1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]-2-pyrrolidin-1-iumcarboxylate (2S)-1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]-2-pyrrolidinecarboxylic acid (2S)-1-[(E)-4,4,4-tris(fluoranyl)-3-oxidanylidene-but-1-enyl]pyrrolidin-1-ium-2-carboxylate (2S)-1-[(E)-4,4,4-tris(fluoranyl)-3-oxidanylidene-but-1-enyl]pyrrolidine-2-carboxylic acid
Wiley ID 858451