| SpectraBase Spectrum ID |
FYDaRN7n4XY |
| Name |
(2S,3R)-2-Hydroxy-3-methyl-succinic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
176.068473481 u |
| Formula |
C7H12O5 |
| InChI |
InChI=1S/C7H12O5/c1-4(6(9)11-2)5(8)7(10)12-3/h4-5,8H,1-3H3/t4-,5+/m1/s1 |
| InChIKey |
RUUHUDXJDHEPBZ-UHNVWZDZSA-N |
| Molecular Weight |
176.168 g/mol |
| SMILES |
[C@]([C@@](C(=O)OC)(O)[H])(C(=O)OC)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967906 |
