| SpectraBase Compound ID | CRD8T1AHABN |
|---|---|
| InChI | InChI=1S/C11H12O4/c1-14-10(12)7-11(13)15-8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3 |
| InChIKey | IAUZDBFOEWAQFE-UHFFFAOYSA-N |
| Mol Weight | 208.21 g/mol |
| Molecular Formula | C11H12O4 |
| Exact Mass | 208.073559 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JhDcl6jlOQ9 |
|---|---|
| Name | Malonic acid, benzyl methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.073558862 u |
| Formula | C11H12O4 |
| InChI | InChI=1S/C11H12O4/c1-14-10(12)7-11(13)15-8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3 |
| InChIKey | IAUZDBFOEWAQFE-UHFFFAOYSA-N |
| Molecular Weight | 208.213 g/mol |
| SMILES | C=1C(=CC=CC1)COC(CC(OC)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.976348 |