| SpectraBase Compound ID | 6lGjZJXeDps |
|---|---|
| InChI | InChI=1S/C10H10O3/c1-7-4-3-5-8(6-11)9(7)10(12)13-2/h3-6H,1-2H3 |
| InChIKey | DDLRCUBVUCRCNS-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 | Bw2FTnou98K |
|---|---|
| Name | 2-Formyl-6-methyl-methylbenzoate |
| 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/c1-7-4-3-5-8(6-11)9(7)10(12)13-2/h3-6H,1-2H3 |
| InChIKey | DDLRCUBVUCRCNS-UHFFFAOYSA-N |
| Molecular Weight | 178.187 g/mol |
| SMILES | COC(=O)C1=C(C=O)C=CC=C1C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938428 |