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

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

(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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lc9k7pbSIc1
Name (2S,4S)-4-TRIFLUOROMETHYLPYROGLUTAMIC-ACID
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
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
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 197.114 g/mol
Solvent CD3OD
Source File Reference UWLU22955