| SpectraBase Spectrum ID |
4IbQWoqa1Xy |
| Name |
1,2,3-Propanetricarboxylic acid, 1-hydroxy-, trimethyl ester, (R*,S*)-(.+/-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.073952784 u |
| Formula |
C9H14O7 |
| InChI |
InChI=1S/C9H14O7/c1-14-6(10)4-5(8(12)15-2)7(11)9(13)16-3/h5,7,11H,4H2,1-3H3 |
| InChIKey |
HRMWDPSXPUUMOQ-UHFFFAOYSA-N |
| Molecular Weight |
234.204 g/mol |
| SMILES |
C(C(CC(OC)=O)C(OC)=O)(C(OC)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846896 |
