| SpectraBase Compound ID | 5rcpqLl9gje |
|---|---|
| InChI | InChI=1S/C10H10O3/c11-8-2-1-3-9(6-8)13-10(12)7-4-5-7/h1-3,6-7,11H,4-5H2 |
| InChIKey | JMNROFNEVCKYHO-UHFFFAOYSA-N |
| Mol Weight | 178.19 g/mol |
| Molecular Formula | C10H10O3 |
| Exact Mass | 178.062994 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3gE5O6Flmvu |
|---|---|
| Name | 1,3-Benzenediol, o-cyclopropanecarbonyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.062994179 u |
| Formula | C10H10O3 |
| InChI | InChI=1S/C10H10O3/c11-8-2-1-3-9(6-8)13-10(12)7-4-5-7/h1-3,6-7,11H,4-5H2 |
| InChIKey | JMNROFNEVCKYHO-UHFFFAOYSA-N |
| Molecular Weight | 178.187 g/mol |
| SMILES | C1(=CC=CC(=C1)O)OC(=O)C1CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.807161 |