| SpectraBase Compound ID | 57J2i4jUNWE |
|---|---|
| InChI | InChI=1S/C11H12O5/c1-3-15-11(13)16-9-7-5-4-6-8(9)10(12)14-2/h4-7H,3H2,1-2H3 |
| InChIKey | JCDFKMKOLAKELL-UHFFFAOYSA-N |
| Mol Weight | 224.21 g/mol |
| Molecular Formula | C11H12O5 |
| Exact Mass | 224.068473 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8ZlX20YAU4t |
|---|---|
| Name | Methyl salicylate, o-ethoxycarbonyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.068473481 u |
| Formula | C11H12O5 |
| InChI | InChI=1S/C11H12O5/c1-3-15-11(13)16-9-7-5-4-6-8(9)10(12)14-2/h4-7H,3H2,1-2H3 |
| InChIKey | JCDFKMKOLAKELL-UHFFFAOYSA-N |
| Molecular Weight | 224.212 g/mol |
| SMILES | C1(=CC=CC=C1C(=O)OC)OC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.899743 |