| SpectraBase Compound ID | 666Jp7TNz6e |
|---|---|
| InChI | InChI=1S/C21H23N5S.C2HF3O2/c27-21(22-17-10-4-1-5-11-17)23-20-16-25(18-12-6-2-7-13-18)24-26(20)19-14-8-3-9-15-19;3-2(4,5)1(6)7/h1,3-5,8-11,14-16,18H,2,6-7,12-13H2,(H-,22,23,24,27);(H,6,7) |
| InChIKey | GIAJLYGLGRGDAD-UHFFFAOYSA-N |
| Mol Weight | 491.53 g/mol |
| Molecular Formula | C23H24F3N5O2S |
| Exact Mass | 491.160281 g/mol |
15N Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HH1dzYp1V6y |
|---|---|
| Name | GIAJLYGLGRGDAD-UHFFFAOYSA-N |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H24F3N5O2S |
| InChI | InChI=1S/C21H23N5S.C2HF3O2/c27-21(22-17-10-4-1-5-11-17)23-20-16-25(18-12-6-2-7-13-18)24-26(20)19-14-8-3-9-15-19;3-2(4,5)1(6)7/h1,3-5,8-11,14-16,18H,2,6-7,12-13H2,(H-,22,23,24,27);(H,6,7) |
| InChIKey | GIAJLYGLGRGDAD-UHFFFAOYSA-N |
| Literature Reference Author | W.BOCIAN,J.W.WIENCH,L.STEFANIAK,G.A.WEBB |
| Literature Reference Citation | MAGN.RES.CHEM.,34,453(1996) |
| Literature Reference DOI | 10.1002/(sici)1097-458x(199606)34:6<453::aid-omr884>3.0.co;2-z |
| Solvent | CF3COOH |
| Source File Reference | UWRK3886 |