| SpectraBase Compound ID | IWomyiJyNPy |
|---|---|
| InChI | InChI=1S/C11H12O4/c1-7(12)8-4-5-10(14-2)9(6-8)11(13)15-3/h4-6H,1-3H3 |
| InChIKey | KPDRDAXDDZAPHS-UHFFFAOYSA-N |
| Mol Weight | 208.21 g/mol |
| Molecular Formula | C11H12O4 |
| Exact Mass | 208.073559 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2uoi2mB5dKk |
|---|---|
| Name | Methyl 5-acetyl-2-methoxybenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.073558862 u |
| Formula | C11H12O4 |
| InChI | InChI=1S/C11H12O4/c1-7(12)8-4-5-10(14-2)9(6-8)11(13)15-3/h4-6H,1-3H3 |
| InChIKey | KPDRDAXDDZAPHS-UHFFFAOYSA-N |
| Molecular Weight | 208.213 g/mol |
| SMILES | C1=C(C(=CC(=C1)C(=O)C)C(=O)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962096 |