![(S)-2-[(TERT.-BUTOXYCARBONYL)-AMINO]-3-[6-[3-(TRIFLUOROMETHYL)-3H-DIAZIRIN-3-YL]-1H-INDOL-3-YL]-PROPANOIC-ACID](/api/spectrum/400JmSg25Sn/structure.png?h=300&w=458 "(S)-2-[(TERT.-BUTOXYCARBONYL)-AMINO]-3-[6-[3-(TRIFLUOROMETHYL)-3H-DIAZIRIN-3-YL]-1H-INDOL-3-YL]-PROPANOIC-ACID")
| SpectraBase Compound ID | 36HGRzDAAjL |
|---|---|
| InChI | InChI=1S/C18H19F3N4O4/c1-16(2,3)29-15(28)23-13(14(26)27)6-9-8-22-12-7-10(4-5-11(9)12)17(24-25-17)18(19,20)21/h4-5,7-8,13,22H,6H2,1-3H3,(H,23,28)(H,26,27) |
| InChIKey | PTOTWNLWIGHXMF-UHFFFAOYSA-N |
| Mol Weight | 412.37 g/mol |
| Molecular Formula | C18H19F3N4O4 |
| Exact Mass | 412.13584 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 400JmSg25Sn |
|---|---|
| Name | (S)-2-[(TERT.-BUTOXYCARBONYL)-AMINO]-3-[6-[3-(TRIFLUOROMETHYL)-3H-DIAZIRIN-3-YL]-1H-INDOL-3-YL]-PROPANOIC-ACID |
| Compound Number | 22 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H19F3N4O4 |
| InChI | InChI=1S/C18H19F3N4O4/c1-16(2,3)29-15(28)23-13(14(26)27)6-9-8-22-12-7-10(4-5-11(9)12)17(24-25-17)18(19,20)21/h4-5,7-8,13,22H,6H2,1-3H3,(H,23,28)(H,26,27) |
| InChIKey | PTOTWNLWIGHXMF-UHFFFAOYSA-N |
| Literature Reference Author | T.WARTMANN,T.LINDEL |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2013,1649(2013) |
| Literature Reference DOI | 10.1002/ejoc.201201726 |
| Solvent | CD3OD |
| Source File Reference | UWBT17930 |