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(2S,4S)-4-DIFLUOROMETHYLPYROGLUTAMIC-ACID

View entire compound with spectra: 2 NMR, and 1 MS (GC)

(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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LVpq4HxqPSn
Name (2S,4S)-4-DIFLUOROMETHYLPYROGLUTAMIC-ACID
Compound Number 2 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
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
Literature Reference Author X.L.QIU,F.L.QING
Literature Reference Citation J.ORG.CHEM.,68,3614(2003)
Literature Reference DOI 10.1021/jo034098m
Molecular Weight 179.123 g/mol
Solvent CD3OD
Source File Reference UWLU22956