| SpectraBase Compound ID | DvNoWPUaAc5 |
|---|---|
| InChI | InChI=1S/C19H22N4O4.C2HF3O2/c1-19(2,23-18(25)26-12-13-6-4-3-5-7-13)16(24)27-15-10-8-14(9-11-15)22-17(20)21;3-2(4,5)1(6)7/h3-11H,12H2,1-2H3,(H,23,25)(H4,20,21,22);(H,6,7) |
| InChIKey | SHNWYWPXQZWKIT-UHFFFAOYSA-N |
| Mol Weight | 484.432 g/mol |
| Molecular Formula | C21H23F3N4O6 |
| Exact Mass | 484.156969 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FYuE5H31uL4 |
|---|---|
| Name | 4-GUANIDINOPHENYL-N-(BENZYLOXYCARBONYL)-(ALPHA-METHYL)-ALANINEATE-TRIFLUOROACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H23F3N4O6 |
| InChI | InChI=1S/C19H22N4O4.C2HF3O2/c1-19(2,23-18(25)26-12-13-6-4-3-5-7-13)16(24)27-15-10-8-14(9-11-15)22-17(20)21;3-2(4,5)1(6)7/h3-11H,12H2,1-2H3,(H,23,25)(H4,20,21,22);(H,6,7) |
| InChIKey | SHNWYWPXQZWKIT-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 | 484.432 g/mol |
| Solvent | DMSO |
| Source File Reference | UWVN25175 |