| SpectraBase Compound ID | Blk1kkowgM9 |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-7-5-8(11(14)15)6-9(10(7)13)12(2,3)4/h5-6,13H,1-4H3,(H,14,15) |
| InChIKey | GGGUNKQEEMUVIG-UHFFFAOYSA-N |
| Mol Weight | 208.26 g/mol |
| Molecular Formula | C12H16O3 |
| Exact Mass | 208.109944 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Hr28qCpsU1I |
|---|---|
| Name | 5-Tert-butyl-4-hydroxy-m-toluic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.109944372 u |
| Formula | C12H16O3 |
| InChI | InChI=1S/C12H16O3/c1-7-5-8(11(14)15)6-9(10(7)13)12(2,3)4/h5-6,13H,1-4H3,(H,14,15) |
| InChIKey | GGGUNKQEEMUVIG-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | OC(C=1C=C(C(=C(C1)C(C)(C)C)O)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.966617 |