| SpectraBase Compound ID | 7YJhMxEGBiZ |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-7-5-10(13)8(6-9(7)12)11(2,3)4/h5-6H,1-4H3 |
| InChIKey | QGICJTBKXZPCRA-UHFFFAOYSA-N |
| Mol Weight | 178.23 g/mol |
| Molecular Formula | C11H14O2 |
| Exact Mass | 178.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5Bt4MvzjYHE |
|---|---|
| Name | 2-Tert-butyl-5-methyl-1,4-benzoquinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.099379689 u |
| Formula | C11H14O2 |
| InChI | InChI=1S/C11H14O2/c1-7-5-10(13)8(6-9(7)12)11(2,3)4/h5-6H,1-4H3 |
| InChIKey | QGICJTBKXZPCRA-UHFFFAOYSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | C1(=CC(=O)C(=CC1=O)C)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942612 |