| SpectraBase Compound ID | FtvJeGMmn5S |
|---|---|
| InChI | InChI=1S/C11H12O2/c1-3-7-13-11(12)10-6-4-5-9(2)8-10/h3-6,8H,1,7H2,2H3 |
| InChIKey | WJTFPKSSYSADRW-UHFFFAOYSA-N |
| Mol Weight | 176.21 g/mol |
| Molecular Formula | C11H12O2 |
| Exact Mass | 176.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LYYIKaWy6og |
|---|---|
| Name | m-Toluic acid, allyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.083729624 u |
| Formula | C11H12O2 |
| InChI | InChI=1S/C11H12O2/c1-3-7-13-11(12)10-6-4-5-9(2)8-10/h3-6,8H,1,7H2,2H3 |
| InChIKey | WJTFPKSSYSADRW-UHFFFAOYSA-N |
| Molecular Weight | 176.215 g/mol |
| SMILES | C(OCC=C)(C=1C=CC=C(C1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949151 |