| SpectraBase Compound ID | IJzyd9jqy1K |
|---|---|
| InChI | InChI=1S/C7H8O2/c8-7(9)6-4-2-1-3-5-6/h2-6H,1H2,(H,8,9) |
| InChIKey | SITZRXZBFQSDJO-UHFFFAOYSA-N |
| Mol Weight | 124.14 g/mol |
| Molecular Formula | C7H8O2 |
| Exact Mass | 124.052429 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7CiKU7TCiHh |
|---|---|
| Name | 1,4-Dihydrobenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.052429496 u |
| Formula | C7H8O2 |
| InChI | InChI=1S/C7H8O2/c8-7(9)6-4-2-1-3-5-6/h2-6H,1H2,(H,8,9) |
| InChIKey | SITZRXZBFQSDJO-UHFFFAOYSA-N |
| Molecular Weight | 124.139 g/mol |
| SMILES | OC(C1C=CCC=C1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.795163 |