| SpectraBase Compound ID | HzyTPsBnLpp |
|---|---|
| InChI | InChI=1S/C10H12O3/c1-3-7-5-4-6-8(13-2)9(7)10(11)12/h4-6H,3H2,1-2H3,(H,11,12) |
| InChIKey | PJDPUTRNSJFWRK-UHFFFAOYSA-N |
| Mol Weight | 180.2 g/mol |
| Molecular Formula | C10H12O3 |
| Exact Mass | 180.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IpX19QIa7It |
|---|---|
| Name | 2-Ethyl-6-methoxybenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.078644243 u |
| Formula | C10H12O3 |
| InChI | InChI=1S/C10H12O3/c1-3-7-5-4-6-8(13-2)9(7)10(11)12/h4-6H,3H2,1-2H3,(H,11,12) |
| InChIKey | PJDPUTRNSJFWRK-UHFFFAOYSA-N |
| Molecular Weight | 180.203 g/mol |
| SMILES | C1(=C(C(=CC=C1)OC)C(O)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.862425 |