| SpectraBase Spectrum ID |
IQwMMF20ify |
| Name |
(2S)-2-Hydroxy-2-methyl-malonic acid O1-ethyl ester O3-phenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.084123546 u |
| Formula |
C12H14O5 |
| InChI |
InChI=1S/C12H14O5/c1-3-16-10(13)12(2,15)11(14)17-9-7-5-4-6-8-9/h4-8,15H,3H2,1-2H3/t12-/m0/s1 |
| InChIKey |
PMNPOTAIMDUILU-LBPRGKRZSA-N |
| Molecular Weight |
238.239 g/mol |
| SMILES |
C([C@](C(=O)OC=1C=CC=CC1)(C)O)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965473 |
