| SpectraBase Compound ID | Gd5IIOdYpeP |
|---|---|
| InChI | InChI=1S/C10H12O3/c1-7-4-5-8(10(11)13-3)9(6-7)12-2/h4-6H,1-3H3 |
| InChIKey | LHNVKRSDQCCHEK-UHFFFAOYSA-N |
| Mol Weight | 180.2 g/mol |
| Molecular Formula | C10H12O3 |
| Exact Mass | 180.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CGUb81LwMCL |
|---|---|
| Name | Methyl 2-methoxy-4-methylbenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.078644243 u |
| Formula | C10H12O3 |
| InChI | InChI=1S/C10H12O3/c1-7-4-5-8(10(11)13-3)9(6-7)12-2/h4-6H,1-3H3 |
| InChIKey | LHNVKRSDQCCHEK-UHFFFAOYSA-N |
| Molecular Weight | 180.203 g/mol |
| SMILES | C1=C(C(=CC=C1C)C(OC)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976062 |