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(2S,4S)-4-DIFLUOROMETHYLPYROGLUTAMIC-ACID
SpectraBase Compound ID 4JJrE1LjCaM
InChI InChI=1S/C6H7F2NO3/c7-4(8)2-1-3(6(11)12)9-5(2)10/h2-4H,1H2,(H,9,10)(H,11,12)/t2-,3+/m1/s1
InChIKey KLELVPPNXSLDOF-GBXIJSLDSA-N
Mol Weight 179.12 g/mol
Molecular Formula C6H7F2NO3
Exact Mass 179.039399 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KVWdqzluzx6
Name (2S,4S)-4-(difluoromethyl)-5-keto-proline
Comments Less than 3 mono-isotopic peaks
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Formula C6H7F2NO3
InChI InChI=1S/C6H7F2NO3/c7-4(8)2-1-3(6(11)12)9-5(2)10/h2-4H,1H2,(H,9,10)(H,11,12)/t2-,3+/m1/s1
InChIKey KLELVPPNXSLDOF-GBXIJSLDSA-N
Molecular Weight 179.123 g/mol
SMILES N1[C@](C(=O)O)(C[C@@](C1=O)(C(F)F)[H])[H]
SPLASH splash10-001i-0900000000-27df1ed261aefef591f9
Source of Spectrum F-68-3617-26
Synonyms (2S,4S)-4-(difluoromethyl)-5-oxo-2-pyrrolidinecarboxylic acid (2S,4S)-4-(difluoromethyl)-5-oxo-pyrrolidine-2-carboxylic acid (2S,4S)-4-[bis(fluoranyl)methyl]-5-oxidanylidene-pyrrolidine-2-carboxylic acid
Wiley ID 1572472