| SpectraBase Compound ID | 2h35BOdr5w9 |
|---|---|
| InChI | InChI=1S/C10H12O3/c1-6-4-9(11)8(5-13-3)7(2)10(6)12/h4H,5H2,1-3H3 |
| InChIKey | REYIEWLSGQOMMT-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 | J0XqmuHA6Th |
|---|---|
| Name | 2-(Methoxymethyl)-3,5-dimethyl-1,4-benzoquinone |
| 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/c1-6-4-9(11)8(5-13-3)7(2)10(6)12/h4H,5H2,1-3H3 |
| InChIKey | REYIEWLSGQOMMT-UHFFFAOYSA-N |
| Molecular Weight | 180.203 g/mol |
| SMILES | C1(=C(C(=O)C(=CC1=O)C)C)COC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965585 |