| SpectraBase Compound ID | 4kAd1bYLtO |
|---|---|
| InChI | InChI=1S/C10H14O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h4-6,11-12H,1-3H3 |
| InChIKey | LYUBXLHGANLIMX-UHFFFAOYSA-N |
| Mol Weight | 166.22 g/mol |
| Molecular Formula | C10H14O2 |
| Exact Mass | 166.09938 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | DgniuM52om2 |
|---|---|
| Name | 3-Isopropyl-6-methylpyrocathechol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.099379689 u |
| Formula | C10H14O2 |
| InChI | InChI=1S/C10H14O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h4-6,11-12H,1-3H3 |
| InChIKey | LYUBXLHGANLIMX-UHFFFAOYSA-N |
| Molecular Weight | 166.220 g/mol |
| SMILES | OC=1C(=C(C=CC1C)C(C)C)O |
| Spectrum/Structure Validation Score (Raman) | 0.922212 |