| SpectraBase Compound ID | 5SlKZaRD3Dr |
|---|---|
| InChI | InChI=1S/C10H10O3/c1-13-10(12)6-8-4-2-3-5-9(8)7-11/h2-5,7H,6H2,1H3 |
| InChIKey | HGYCMAAUZWDACG-UHFFFAOYSA-N |
| Mol Weight | 178.19 g/mol |
| Molecular Formula | C10H10O3 |
| Exact Mass | 178.062994 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BLtGe7bF1o1 |
|---|---|
| Name | 2-(2-Formylphenyl)acetic acid methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.062994179 u |
| Formula | C10H10O3 |
| InChI | InChI=1S/C10H10O3/c1-13-10(12)6-8-4-2-3-5-9(8)7-11/h2-5,7H,6H2,1H3 |
| InChIKey | HGYCMAAUZWDACG-UHFFFAOYSA-N |
| Molecular Weight | 178.187 g/mol |
| SMILES | C(CC=1C(C=O)=CC=CC1)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.874957 |