| SpectraBase Compound ID | 1bKmJIbWPfC |
|---|---|
| InChI | InChI=1S/C11H12O3/c1-3-8-14-10-6-4-9(5-7-10)11(12)13-2/h3-7H,1,8H2,2H3 |
| InChIKey | YVFMGBISSJHIRW-UHFFFAOYSA-N |
| Mol Weight | 192.21 g/mol |
| Molecular Formula | C11H12O3 |
| Exact Mass | 192.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FsKMiTg63P7 |
|---|---|
| Name | 4-Allyloxybenzoic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.078644243 u |
| Formula | C11H12O3 |
| InChI | InChI=1S/C11H12O3/c1-3-8-14-10-6-4-9(5-7-10)11(12)13-2/h3-7H,1,8H2,2H3 |
| InChIKey | YVFMGBISSJHIRW-UHFFFAOYSA-N |
| Molecular Weight | 192.214 g/mol |
| SMILES | c1(ccc(cc1)C(=O)OC)OCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969476 |