| SpectraBase Compound ID | 8ptp6u70u1K |
|---|---|
| InChI | InChI=1S/C11H14O3/c1-9-3-5-10(6-4-9)11(12)14-8-7-13-2/h3-6H,7-8H2,1-2H3 |
| InChIKey | YFONWNYGUNCRLV-UHFFFAOYSA-N |
| Mol Weight | 194.23 g/mol |
| Molecular Formula | C11H14O3 |
| Exact Mass | 194.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H12nPL7K9Qk |
|---|---|
| Name | 4-Methylbenzoic acid, 2-methoxyethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.094294308 u |
| Formula | C11H14O3 |
| InChI | InChI=1S/C11H14O3/c1-9-3-5-10(6-4-9)11(12)14-8-7-13-2/h3-6H,7-8H2,1-2H3 |
| InChIKey | YFONWNYGUNCRLV-UHFFFAOYSA-N |
| Molecular Weight | 194.230 g/mol |
| SMILES | C(C1=CC=C(C)C=C1)(OCCOC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949427 |