| SpectraBase Spectrum ID |
EwJrZWTKG1G |
| Name |
(2R,3R)-2,3-Dihydroxybutanedioic acid, dimethyl ester, 2-methylpropionate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.089602848 u |
| Formula |
C10H16O7 |
| InChI |
InChI=1S/C10H16O7/c1-5(2)8(12)17-7(10(14)16-4)6(11)9(13)15-3/h5-7,11H,1-4H3 |
| InChIKey |
JVNSPBQUMFUBCW-UHFFFAOYSA-N |
| Molecular Weight |
248.231 g/mol |
| SMILES |
C(C(C(OC)=O)OC(C(C)C)=O)(C(OC)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.803361 |
