| SpectraBase Compound ID | d8PUhDUAEd |
|---|---|
| InChI | InChI=1S/C9H10O2/c1-2-7-4-3-5-8(6-7)9(10)11/h3-6H,2H2,1H3,(H,10,11) |
| InChIKey | HXUSUAKIRZZMGP-UHFFFAOYSA-N |
| Mol Weight | 150.18 g/mol |
| Molecular Formula | C9H10O2 |
| Exact Mass | 150.06808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HuHVYc4HJWp |
|---|---|
| Name | 3-Ethylbenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 150.068079560 u |
| Formula | C9H10O2 |
| InChI | InChI=1S/C9H10O2/c1-2-7-4-3-5-8(6-7)9(10)11/h3-6H,2H2,1H3,(H,10,11) |
| InChIKey | HXUSUAKIRZZMGP-UHFFFAOYSA-N |
| Molecular Weight | 150.177 g/mol |
| SMILES | C(O)(=O)C1=CC(=CC=C1)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.918361 |