| SpectraBase Compound ID | 1VLkYAX01nR |
|---|---|
| InChI | InChI=1S/C19H27F3N4O4S/c1-11(2)14(25-17(28)16(26-23)19(20,21)22)7-6-12(3)8-9-31-10-15(18(29)30-5)24-13(4)27/h8,14-15H,1,6-7,9-10H2,2-5H3,(H,24,27)(H,25,28)/b12-8+/t14?,15-/m0/s1 |
| InChIKey | SCDGMUZJRAXVEU-PMKHYWSKSA-N |
| Mol Weight | 464.5 g/mol |
| Molecular Formula | C19H27F3N4O4S |
| Exact Mass | 464.170511 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1FfY1JuFujc |
|---|---|
| Name | SCDGMUZJRAXVEU-PMKHYWSKSA-N |
| Compound Number | UNDESIRED-ISOMER-OF-#1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C19H27F3N4O4S |
| InChI | InChI=1S/C19H27F3N4O4S/c1-11(2)14(25-17(28)16(26-23)19(20,21)22)7-6-12(3)8-9-31-10-15(18(29)30-5)24-13(4)27/h8,14-15H,1,6-7,9-10H2,2-5H3,(H,24,27)(H,25,28)/b12-8+/t14?,15-/m0/s1 |
| InChIKey | SCDGMUZJRAXVEU-PMKHYWSKSA-N |
| Literature Reference Author | T.A.KALE,M.D.DISTEFANO |
| Literature Reference Citation | ORG.LETTERS,5,609(2003) |
| Literature Reference DOI | 10.1021/ol026752a |
| Solvent | CDCl3 |
| Source File Reference | UWLU49474 |