| SpectraBase Compound ID | EQbN97nOUMw |
|---|---|
| InChI | InChI=1S/C10H12O2/c1-7-4-5-9(8(2)6-7)10(11)12-3/h4-6H,1-3H3 |
| InChIKey | QQCLNRPRQRDMCK-UHFFFAOYSA-N |
| Mol Weight | 164.2 g/mol |
| Molecular Formula | C10H12O2 |
| Exact Mass | 164.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J2OaDmC7a7u |
|---|---|
| Name | Methyl-(2,4-dimethyl)-benzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.083729624 u |
| Formula | C10H12O2 |
| InChI | InChI=1S/C10H12O2/c1-7-4-5-9(8(2)6-7)10(11)12-3/h4-6H,1-3H3 |
| InChIKey | QQCLNRPRQRDMCK-UHFFFAOYSA-N |
| Molecular Weight | 164.204 g/mol |
| SMILES | C(=O)(C1=C(C=C(C=C1)C)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.845145 |