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(2S,4S)-4-TRIFLUOROMETHYLPYROGLUTAMIC-ACID
SpectraBase Compound ID IReZv2CDlTu
InChI InChI=1S/C6H6F3NO3/c7-6(8,9)2-1-3(5(12)13)10-4(2)11/h2-3H,1H2,(H,10,11)(H,12,13)/t2-,3-/m0/s1
InChIKey HIHWPMLRFOIGRG-HRFVKAFMSA-N
Mol Weight 197.11 g/mol
Molecular Formula C6H6F3NO3
Exact Mass 197.029978 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5eZp50LVnah
Name (2S,4S)-5-keto-4-(trifluoromethyl)proline
Comments Less than 3 mono-isotopic peaks
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Formula C6H6F3NO3
InChI InChI=1S/C6H6F3NO3/c7-6(8,9)2-1-3(5(12)13)10-4(2)11/h2-3H,1H2,(H,10,11)(H,12,13)/t2-,3-/m0/s1
InChIKey HIHWPMLRFOIGRG-HRFVKAFMSA-N
Molecular Weight 197.113 g/mol
SMILES N1[C@](C(=O)O)(C[C@@](C1=O)(C(F)(F)F)[H])[H]
SPLASH splash10-0udi-0900000000-dd499bee4e84cb96292c
Source of Spectrum F-68-3617-25
Synonyms (2S,4S)-5-oxidanylidene-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid (2S,4S)-5-oxo-4-(trifluoromethyl)-2-pyrrolidinecarboxylic acid (2S,4S)-5-oxo-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid
Wiley ID 1572474