| SpectraBase Compound ID | BLChUqjG050 |
|---|---|
| InChI | InChI=1S/C10H14O2/c1-7(2)5-8-3-4-9(11)10(12)6-8/h3-4,6-7,11-12H,5H2,1-2H3 |
| InChIKey | KZFSBJHIZZZKDU-UHFFFAOYSA-N |
| Mol Weight | 166.22 g/mol |
| Molecular Formula | C10H14O2 |
| Exact Mass | 166.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | OdADT3x6vE |
|---|---|
| Name | 4-Isobutylbenzene-1,2-diol |
| 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/c1-7(2)5-8-3-4-9(11)10(12)6-8/h3-4,6-7,11-12H,5H2,1-2H3 |
| InChIKey | KZFSBJHIZZZKDU-UHFFFAOYSA-N |
| Molecular Weight | 166.220 g/mol |
| SMILES | C1(=C(C=CC(=C1)CC(C)C)O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.804352 |