| SpectraBase Compound ID | GMxSSExcWBr |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-8-7-9(5-6-10(8)13)11(14)12(2,3)4/h5-7,13H,1-4H3 |
| InChIKey | ZHSYMAZVEFAADQ-UHFFFAOYSA-N |
| Mol Weight | 192.26 g/mol |
| Molecular Formula | C12H16O2 |
| Exact Mass | 192.11503 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | AYHl8pwiYev |
|---|---|
| Name | 4'-Hydroxy-3'-methylpivalophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.115029753 u |
| Formula | C12H16O2 |
| InChI | InChI=1S/C12H16O2/c1-8-7-9(5-6-10(8)13)11(14)12(2,3)4/h5-7,13H,1-4H3 |
| InChIKey | ZHSYMAZVEFAADQ-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | OC=1C(=CC(=CC1)C(C(C)(C)C)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.797907 |