| SpectraBase Compound ID | 6SHyP7lIgzA |
|---|---|
| InChI | InChI=1S/C9H8O4/c10-8(11)9(12)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11) |
| InChIKey | VYLDBYOSHBXGNF-UHFFFAOYSA-N |
| Mol Weight | 180.16 g/mol |
| Molecular Formula | C9H8O4 |
| Exact Mass | 180.042259 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EXEkdG7f4xC |
|---|---|
| Name | Ethanedioic acid, mono(phenylmethyl) ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.042258734 u |
| Formula | C9H8O4 |
| InChI | InChI=1S/C9H8O4/c10-8(11)9(12)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11) |
| InChIKey | VYLDBYOSHBXGNF-UHFFFAOYSA-N |
| Molecular Weight | 180.159 g/mol |
| SMILES | C1=CC(COC(C(=O)O)=O)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939699 |