| SpectraBase Compound ID | FqTHrCK2thm |
|---|---|
| InChI | InChI=1S/C9H12O/c1-2-4-8-5-3-6-9(10)7-8/h3,5-7,10H,2,4H2,1H3 |
| InChIKey | MPWGZBWDLMDIHO-UHFFFAOYSA-N |
| Mol Weight | 136.19 g/mol |
| Molecular Formula | C9H12O |
| Exact Mass | 136.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FVlxTMMOod5 |
|---|---|
| Name | Phenol, 3-propyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 136.088815005 u |
| Formula | C9H12O |
| InChI | InChI=1S/C9H12O/c1-2-4-8-5-3-6-9(10)7-8/h3,5-7,10H,2,4H2,1H3 |
| InChIKey | MPWGZBWDLMDIHO-UHFFFAOYSA-N |
| Molecular Weight | 136.194 g/mol |
| SMILES | C(CC1=CC(O)=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.918414 |