| 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
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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 |