| SpectraBase Compound ID | JfKvD9hvkRX |
|---|---|
| InChI | InChI=1S/C23H23N3O2.C2HF3O2/c1-14(2)12-20(27)24-10-8-15-13-19(28-3)23-21-17(9-11-25-23)16-6-4-5-7-18(16)26-22(15)21;3-2(4,5)1(6)7/h4-7,9,11-13,26H,8,10H2,1-3H3,(H,24,27);(H,6,7) |
| InChIKey | GXYGLJXECDZMFV-UHFFFAOYSA-N |
| Mol Weight | 487.48 g/mol |
| Molecular Formula | C25H24F3N3O4 |
| Exact Mass | 487.171891 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BBNfbgqwVKz |
|---|---|
| Name | O-METHYL-STYELSAMINE-N(14)-3-METHYLBUT-2-ENAMIDE-TRIFLUOROACETATE |
| Compound Number | 46 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H24F3N3O4 |
| InChI | InChI=1S/C23H23N3O2.C2HF3O2/c1-14(2)12-20(27)24-10-8-15-13-19(28-3)23-21-17(9-11-25-23)16-6-4-5-7-18(16)26-22(15)21;3-2(4,5)1(6)7/h4-7,9,11-13,26H,8,10H2,1-3H3,(H,24,27);(H,6,7) |
| InChIKey | GXYGLJXECDZMFV-UHFFFAOYSA-N |
| Literature Reference Author | H.K.H.FONG,B.R.COPP |
| Literature Reference Citation | MAR.DRUGS,11,274(2013) |
| Literature Reference DOI | 10.3390/md11020274 |
| Molecular Weight | 487.478 g/mol |
| Source File Reference | UWLU74745 |