| SpectraBase Spectrum ID |
212hnZ1r2sV |
| Name |
D-Arabinonic acid, .gamma.-lactone, 2,5-diacetate 3-formate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.053217338 u |
| Formula |
C10H12O8 |
| InChI |
InChI=1S/C10H12O8/c1-5(12)15-3-7-8(17-6(2)13)9(16-4-11)10(14)18-7/h4,7-9H,3H2,1-2H3/t7-,8-,9+/m1/s1 |
| InChIKey |
HLWIQRVQPRYNED-HLTSFMKQSA-N |
| SMILES |
C1([C@]([C@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])(OC=O)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.986735 |
