| SpectraBase Spectrum ID |
KqGDOiUvZp0 |
| Name |
2-Acetyl-3,5-dibenzoylribose |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.115817596 u |
| Formula |
C21H20O8 |
| InChI |
InChI=1S/C21H20O8/c1-13(22)27-18-17(29-20(24)15-10-6-3-7-11-15)16(28-21(18)25)12-26-19(23)14-8-4-2-5-9-14/h2-11,16-18,21,25H,12H2,1H3/t16-,17-,18-,21-/m1/s1 |
| InChIKey |
BWKNXQSSAQXWPA-NEYJZJCJSA-N |
| Molecular Weight |
400.383 g/mol |
| SMILES |
[C@@]1([C@@]([C@@](COC(=O)C2=CC=CC=C2)(O[C@]1(O)[H])[H])(OC(=O)C1=CC=CC=C1)[H])(OC(C)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96987 |
