![(RAC)-2-ACETAMIDO-3-[6-[3-(TRIFLUOROMETHYL)-3H-DIAZIRIN-3-YL]-1H-INDOL-3-YL]-PROPANOIC-ACID](/api/spectrum/1t0cW9DnJ1x/structure.png?h=300&w=458 "(RAC)-2-ACETAMIDO-3-[6-[3-(TRIFLUOROMETHYL)-3H-DIAZIRIN-3-YL]-1H-INDOL-3-YL]-PROPANOIC-ACID")
| SpectraBase Compound ID | EnlPWJ0hMLJ |
|---|---|
| InChI | InChI=1S/C15H13F3N4O3/c1-7(23)20-12(13(24)25)4-8-6-19-11-5-9(2-3-10(8)11)14(21-22-14)15(16,17)18/h2-3,5-6,12,19H,4H2,1H3,(H,20,23)(H,24,25) |
| InChIKey | YRBKWPWWBYOZGN-UHFFFAOYSA-N |
| Mol Weight | 354.29 g/mol |
| Molecular Formula | C15H13F3N4O3 |
| Exact Mass | 354.093975 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1t0cW9DnJ1x |
|---|---|
| Name | (RAC)-2-ACETAMIDO-3-[6-[3-(TRIFLUOROMETHYL)-3H-DIAZIRIN-3-YL]-1H-INDOL-3-YL]-PROPANOIC-ACID |
| Compound Number | RAC- 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C15H13F3N4O3 |
| InChI | InChI=1S/C15H13F3N4O3/c1-7(23)20-12(13(24)25)4-8-6-19-11-5-9(2-3-10(8)11)14(21-22-14)15(16,17)18/h2-3,5-6,12,19H,4H2,1H3,(H,20,23)(H,24,25) |
| InChIKey | YRBKWPWWBYOZGN-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 | DMSO-D6 |
| Source File Reference | UWBT17922 |