| SpectraBase Spectrum ID |
5Jg5NQ5oMwS |
| Name |
3-Methyl-3-phenyl-1-(2,3,5-tri-o-acetyl-.beta.-D-ribofuranosyl)-2,5-pyrrolidinedione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
447.152931380 u |
| Formula |
C22H25NO9 |
| InChI |
InChI=1S/C22H25NO9/c1-12(24)29-11-16-18(30-13(2)25)19(31-14(3)26)20(32-16)23-17(27)10-22(4,21(23)28)15-8-6-5-7-9-15/h5-9,16,18-20H,10-11H2,1-4H3/t16-,18-,19-,20-,22?/m1/s1 |
| InChIKey |
WKIMDBSHJCQIJM-OKMKSZLCSA-N |
| Molecular Weight |
447.440 g/mol |
| SMILES |
C1C(C(=O)N(C1=O)[C@]1([C@@]([C@@]([C@](O1)(COC(=O)C)[H])(OC(C)=O)[H])(OC(=O)C)[H])[H])(C)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962394 |
