| SpectraBase Compound ID | 2WoBfccKdp4 |
|---|---|
| InChI | InChI=1S/C18H21F3N4O9/c1-23-5-3-7(16(31)34-18(19,20)21)24(2)14(30)9(23)10(27)13-11(28)12(29)15(33-13)25-6-4-8(26)22-17(25)32/h3-4,6,9-13,15,27-29H,5H2,1-2H3,(H,22,26,32)/t9-,10+,11-,12+,13+,15+/m1/s1 |
| InChIKey | GYLVQEIYAWRYHW-WZUGGRCDSA-N |
| Mol Weight | 494.38 g/mol |
| Molecular Formula | C18H21F3N4O9 |
| Exact Mass | 494.126063 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8MxF6wElF9U |
|---|---|
| Name | GYLVQEIYAWRYHW-WZUGGRCDSA-N |
| Compound Number | (5'S,6'S)-TRIFLUOROACETATE-SALT-OF-#3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H21F3N4O9 |
| InChI | InChI=1S/C18H21F3N4O9/c1-23-5-3-7(16(31)34-18(19,20)21)24(2)14(30)9(23)10(27)13-11(28)12(29)15(33-13)25-6-4-8(26)22-17(25)32/h3-4,6,9-13,15,27-29H,5H2,1-2H3,(H,22,26,32)/t9-,10+,11-,12+,13+,15+/m1/s1 |
| InChIKey | GYLVQEIYAWRYHW-WZUGGRCDSA-N |
| Literature Reference Author | S.KNAPP,G.J.MORRIELLO,G.A.DOSS |
| Literature Reference Citation | ORG.LETTERS,4,603(2002) |
| Literature Reference DOI | 10.1021/ol0102904 |
| Molecular Weight | 494.381 g/mol |
| Solvent | D2O |
| Source File Reference | UWLU35625 |