| SpectraBase Compound ID | 5zPsCRKyDWv |
|---|---|
| InChI | InChI=1S/C9H8O3/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-5,8H,6H2 |
| InChIKey | ZKOGUIGAVNCCKH-UHFFFAOYSA-N |
| Mol Weight | 164.16 g/mol |
| Molecular Formula | C9H8O3 |
| Exact Mass | 164.047344 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Ch2podpawiS |
|---|---|
| Name | Carbonic acid, cyclic phenylenethylene ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.047344115 u |
| Formula | C9H8O3 |
| InChI | InChI=1S/C9H8O3/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-5,8H,6H2 |
| InChIKey | ZKOGUIGAVNCCKH-UHFFFAOYSA-N |
| Molecular Weight | 164.160 g/mol |
| SMILES | C=1C(=CC=CC1)C1COC(O1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.996214 |