| 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 |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AGkQv4fKFBa |
|---|---|
| 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 |
| Solvent | DMSO |
| Source File Reference | UWVN25176 |