| SpectraBase Compound ID | BPpG0FROQuE |
|---|---|
| InChI | InChI=1S/C25H28FNO4S2/c1-16-13-14-18(25(2,3)17-9-5-4-6-10-17)20(15-16)31-23(28)22(26)33(29,30)24-27-19-11-7-8-12-21(19)32-24/h4-12,16,18,20,22H,13-15H2,1-3H3/t16-,18-,20-,22?/m1/s1 |
| InChIKey | ZCTMDQRGPVJNGG-GBWLGWAVSA-N |
| Mol Weight | 489.62 g/mol |
| Molecular Formula | C25H28FNO4S2 |
| Exact Mass | 489.144379 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8mCKRotfAFh |
|---|---|
| Name | 8-PHENYLMENTHYL-(1,3-BENZOTHIAZOL-2-YL-SULFONYL)-FLUOROACETATE;MAJOR-ISOMER |
| Compound Number | 2C |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H28FNO4S2 |
| InChI | InChI=1S/C25H28FNO4S2/c1-16-13-14-18(25(2,3)17-9-5-4-6-10-17)20(15-16)31-23(28)22(26)33(29,30)24-27-19-11-7-8-12-21(19)32-24/h4-12,16,18,20,22H,13-15H2,1-3H3/t16-,18-,20-,22?/m1/s1 |
| InChIKey | ZCTMDQRGPVJNGG-GBWLGWAVSA-N |
| Literature Reference Author | B.ZAJC,S.KAKE |
| Literature Reference Citation | ORG.LETTERS,8,4457(2006) |
| Literature Reference DOI | 10.1021/ol0616236 |
| Solvent | CDCl3 |
| Source File Reference | UWLU61760 |