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(2S,3R)-3-(3',4'-DIFLUOROPHENYL)-PYROGLUTAMIC-ACID

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(2S,3R)-3-(3',4'-DIFLUOROPHENYL)-PYROGLUTAMIC-ACID
SpectraBase Compound ID Jz7xJKyKJpf
InChI InChI=1S/C11H9F2NO3/c12-7-2-1-5(3-8(7)13)6-4-9(15)14-10(6)11(16)17/h1-3,6,10H,4H2,(H,14,15)(H,16,17)/t6-,10+/m1/s1
InChIKey YMRIAEQCVAQJCF-LDWIPMOCSA-N
Mol Weight 241.19 g/mol
Molecular Formula C11H9F2NO3
Exact Mass 241.055049 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JWrVPrKkb3
Name (2S,3R)-3-(3',4'-DIFLUOROPHENYL)-PYROGLUTAMIC-ACID
Compound Number 8S
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H9F2NO3
InChI InChI=1S/C11H9F2NO3/c12-7-2-1-5(3-8(7)13)6-4-9(15)14-10(6)11(16)17/h1-3,6,10H,4H2,(H,14,15)(H,16,17)/t6-,10+/m1/s1
InChIKey YMRIAEQCVAQJCF-LDWIPMOCSA-N
Literature Reference Author C.CAI,V.A.SOLOSHONOK,V.J.HRUBY
Literature Reference Citation J.ORG.CHEM.,66,1339(2001)
Literature Reference DOI 10.1021/jo0014865
Molecular Weight 241.194 g/mol
Solvent CD3OD
Source File Reference UWMS25902