| SpectraBase Compound ID | Kqi2Q43hdaO |
|---|---|
| InChI | InChI=1S/C11H12O4/c1-3-11(13)15-10-6-8(7-12)4-5-9(10)14-2/h4-7H,3H2,1-2H3 |
| InChIKey | LXEWLRMKRNCHTI-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 | 8FKT7D3Vmna |
|---|---|
| Name | 5-Formyl-2-methoxyphenyl propionate |
| 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/c1-3-11(13)15-10-6-8(7-12)4-5-9(10)14-2/h4-7H,3H2,1-2H3 |
| InChIKey | LXEWLRMKRNCHTI-UHFFFAOYSA-N |
| Molecular Weight | 208.213 g/mol |
| SMILES | C1(OC(=O)CC)=C(C=CC(=C1)C=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934087 |