| SpectraBase Spectrum ID |
IyOesuGowdZ |
| Name |
Threo-pentonic acid, 2,3-dideoxy-2-methyl-, .gamma.-lactone, 5-acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
172.073558862 u |
| Formula |
C8H12O4 |
| InChI |
InChI=1S/C8H12O4/c1-5-3-7(12-8(5)10)4-11-6(2)9/h5,7H,3-4H2,1-2H3 |
| InChIKey |
KGFGHBFUAYLPAA-UHFFFAOYSA-N |
| Molecular Weight |
172.180 g/mol |
| SMILES |
C1(OC(COC(=O)C)CC1C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.986752 |
