| SpectraBase Spectrum ID |
CJvXE7aYGo0 |
| Name |
1-(2,3,5-tri-o-Acetyl-.beta.-D-arabinofuranosyl)-5-(2-E-bromovinyl)uracil |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
474.027393191 u |
| Formula |
C17H19BrN2O9 |
| InChI |
InChI=1S/C17H19BrN2O9/c1-8(21)26-7-12-13(27-9(2)22)14(28-10(3)23)16(29-12)20-6-11(4-5-18)15(24)19-17(20)25/h4-6,12-14,16H,7H2,1-3H3,(H,19,24,25)/b5-4+/t12-,13-,14+,16-/m1/s1 |
| InChIKey |
GKBFOVUXXLDBJH-XVGJUINASA-N |
| Molecular Weight |
475.248 g/mol |
| SMILES |
C1(=O)NC(N([C@@]2(O[C@@]([C@@](OC(C)=O)([C@@]2(OC(C)=O)[H])[H])(COC(C)=O)[H])[H])C=C1\C=C\Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952685 |
