| SpectraBase Compound ID | 6thVzFgcR5S |
|---|---|
| InChI | InChI=1S/C11H16O2/c1-7-5-6-8(11(2,3)4)10(13)9(7)12/h5-6,12-13H,1-4H3 |
| InChIKey | GXVJJTLDTNWPON-UHFFFAOYSA-N |
| Mol Weight | 180.25 g/mol |
| Molecular Formula | C11H16O2 |
| Exact Mass | 180.11503 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Hl2eOXtSTPh |
|---|---|
| Name | 3-Tert-butyl-6-methylpyrocatechol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.115029753 u |
| Formula | C11H16O2 |
| InChI | InChI=1S/C11H16O2/c1-7-5-6-8(11(2,3)4)10(13)9(7)12/h5-6,12-13H,1-4H3 |
| InChIKey | GXVJJTLDTNWPON-UHFFFAOYSA-N |
| Molecular Weight | 180.247 g/mol |
| SMILES | OC=1C(=C(C=CC1C)C(C)(C)C)O |
| Spectrum/Structure Validation Score (Raman) | 0.90874 |