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4-GUANIDINOPHENYL-N-(BENZYLOXYCARBONYL)-(ALPHA-DIFLUOROMETHYL)-ALANINEATE-TRIFLUOROACETATE
SpectraBase Compound ID H7xHPZd9tvG
InChI InChI=1S/C19H20F2N4O4.C2HF3O2/c1-19(15(20)21,25-18(27)28-11-12-5-3-2-4-6-12)16(26)29-14-9-7-13(8-10-14)24-17(22)23;3-2(4,5)1(6)7/h2-10,15H,11H2,1H3,(H,25,27)(H4,22,23,24);(H,6,7)
InChIKey YXVUJWWHHRXNRY-UHFFFAOYSA-N
Mol Weight 520.413 g/mol
Molecular Formula C21H21F5N4O6
Exact Mass 520.138125 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JSl2zYnBfT
Name 4-GUANIDINOPHENYL-N-(BENZYLOXYCARBONYL)-(ALPHA-DIFLUOROMETHYL)-ALANINEATE-TRIFLUOROACETATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H21F5N4O6
InChI InChI=1S/C19H20F2N4O4.C2HF3O2/c1-19(15(20)21,25-18(27)28-11-12-5-3-2-4-6-12)16(26)29-14-9-7-13(8-10-14)24-17(22)23;3-2(4,5)1(6)7/h2-10,15H,11H2,1H3,(H,25,27)(H4,22,23,24);(H,6,7)
InChIKey YXVUJWWHHRXNRY-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 520.413 g/mol
Solvent DMSO
Source File Reference UWVN25176