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4-GUANIDINOPHENYL-N-(BENZYLOXYCARBONYL)-(ALPHA-TRIFLUOROMETHYL)-ALANINEATE-TRIFLUOROACETATE
SpectraBase Compound ID 9i4z8UAmYka
InChI InChI=1S/C19H19F3N4O4.C2HF3O2/c1-18(19(20,21)22,26-17(28)29-11-12-5-3-2-4-6-12)15(27)30-14-9-7-13(8-10-14)25-16(23)24;3-2(4,5)1(6)7/h2-10H,11H2,1H3,(H,26,28)(H4,23,24,25);(H,6,7)
InChIKey HECYCFZYMHHULY-UHFFFAOYSA-N
Mol Weight 538.403 g/mol
Molecular Formula C21H20F6N4O6
Exact Mass 538.128703 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Aq5ZCsdMJY7
Name 4-GUANIDINOPHENYL-N-(BENZYLOXYCARBONYL)-(ALPHA-TRIFLUOROMETHYL)-ALANINEATE-TRIFLUOROACETATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20F6N4O6
InChI InChI=1S/C19H19F3N4O4.C2HF3O2/c1-18(19(20,21)22,26-17(28)29-11-12-5-3-2-4-6-12)15(27)30-14-9-7-13(8-10-14)25-16(23)24;3-2(4,5)1(6)7/h2-10H,11H2,1H3,(H,26,28)(H4,23,24,25);(H,6,7)
InChIKey HECYCFZYMHHULY-UHFFFAOYSA-N
Literature Reference Author S.THUST,B.KOKSCH
Literature Reference Citation J.ORG.CHEM.,68,2290(2003)
Literature Reference DOI 10.1021/jo020613p
Molecular Weight 538.403 g/mol
Solvent DMSO
Source File Reference UWVN25174