| SpectraBase Compound ID | EFEF9h2aB36 |
|---|---|
| InChI | InChI=1S/C17H21N5O5S.C2HF3O2/c18-9-3-1-2-6-19-13(23)5-4-10(16-22-12(8-28-16)17(25)26)20-14(24)11-7-27-15(9)21-11;3-2(4,5)1(6)7/h7-10H,1-6,18H2,(H,19,23)(H,20,24)(H,25,26);(H,6,7)/t9-,10-;/m1./s1 |
| InChIKey | AIAYMIGSUJIWTO-DHTOPLTISA-N |
| Mol Weight | 521.47 g/mol |
| Molecular Formula | C19H22F3N5O7S |
| Exact Mass | 521.119204 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9haCaSgQnoo |
|---|---|
| Name | AIAYMIGSUJIWTO-DHTOPLTISA-N |
| Compound Number | 11B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C19H22F3N5O7S |
| InChI | InChI=1S/C17H21N5O5S.C2HF3O2/c18-9-3-1-2-6-19-13(23)5-4-10(16-22-12(8-28-16)17(25)26)20-14(24)11-7-27-15(9)21-11;3-2(4,5)1(6)7/h7-10H,1-6,18H2,(H,19,23)(H,20,24)(H,25,26);(H,6,7)/t9-,10-;/m1./s1 |
| InChIKey | AIAYMIGSUJIWTO-DHTOPLTISA-N |
| Literature Reference Author | Y.SINGH,M.J.STOERMER,A.J.LUCKE,M.P.GLENN,D.P.FAIRLIE |
| Literature Reference Citation | ORG.LETTERS,4,3367(2002) |
| Literature Reference DOI | 10.1021/ol026463m |
| Molecular Weight | 521.468 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSI27062 |