| SpectraBase Compound ID | 7QWQRNVWoJr |
|---|---|
| InChI | InChI=1S/C9H9NO/c1-6-3-8(11)4-7(2)9(6)5-10/h3-4,11H,1-2H3 |
| InChIKey | KZEJTKHRBQWACL-UHFFFAOYSA-N |
| Mol Weight | 147.18 g/mol |
| Molecular Formula | C9H9NO |
| Exact Mass | 147.068414 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2nIRO0C48vv |
|---|---|
| Name | 4-Cyano-3,5-dimethylphenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 147.068413913 u |
| Formula | C9H9NO |
| InChI | InChI=1S/C9H9NO/c1-6-3-8(11)4-7(2)9(6)5-10/h3-4,11H,1-2H3 |
| InChIKey | KZEJTKHRBQWACL-UHFFFAOYSA-N |
| Molecular Weight | 147.177 g/mol |
| SMILES | C1(=C(C(=CC(=C1)O)C)C#N)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.875254 |