| SpectraBase Spectrum ID |
7ZReWQoiZrJ |
| Name |
(2R)-2-Phenylbutanedioic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.089208927 u |
| Formula |
C12H14O4 |
| InChI |
InChI=1S/C12H14O4/c1-15-11(13)8-10(12(14)16-2)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3/t10-/m1/s1 |
| InChIKey |
CGVIBFZHFCVINR-SNVBAGLBSA-N |
| Molecular Weight |
222.240 g/mol |
| SMILES |
C([C@](CC(=O)OC)(C=1C=CC=CC1)[H])(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.801093 |
