| SpectraBase Compound ID | vRzYvQcgIK |
|---|---|
| InChI | InChI=1S/C11H14O5/c1-14-9-5-3-4-6-10(9)16-7-8(12)11(13)15-2/h3-6,8,12H,7H2,1-2H3 |
| InChIKey | JANGKZILOPGYKB-UHFFFAOYSA-N |
| Mol Weight | 226.23 g/mol |
| Molecular Formula | C11H14O5 |
| Exact Mass | 226.084124 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AXiuW5Fb3Zn |
|---|---|
| Name | Guaifenesin-m (CO2H) me |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.084123546 u |
| Formula | C11H14O5 |
| InChI | InChI=1S/C11H14O5/c1-14-9-5-3-4-6-10(9)16-7-8(12)11(13)15-2/h3-6,8,12H,7H2,1-2H3 |
| InChIKey | JANGKZILOPGYKB-UHFFFAOYSA-N |
| Molecular Weight | 226.228 g/mol |
| SMILES | C=1(C(=CC=CC1)OC)OCC(C(OC)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976527 |