| SpectraBase Compound ID | CRSBG8wsZW2 |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-5-11(14)12-9(4)6-7-10(8(2)3)13(12)15/h6-8,15H,5H2,1-4H3 |
| InChIKey | QNXAFJITVBIRQU-UHFFFAOYSA-N |
| Mol Weight | 206.28 g/mol |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.13068 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | AdxzN6fqt2T |
|---|---|
| Name | 2'-Hydroxy-3'-isopropyl-6'-methylpropiophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.130679818 u |
| Formula | C13H18O2 |
| InChI | InChI=1S/C13H18O2/c1-5-11(14)12-9(4)6-7-10(8(2)3)13(12)15/h6-8,15H,5H2,1-4H3 |
| InChIKey | QNXAFJITVBIRQU-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | OC1=C(C(=CC=C1C(C)C)C)C(CC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.980543 |