| SpectraBase Compound ID | FjmwiN1xCvd |
|---|---|
| InChI | InChI=1S/C11H11NO/c1-9(7-8-12)11(13)10-5-3-2-4-6-10/h2-7,11,13H,1H3/b9-7+ |
| InChIKey | IXJZCDHGGLPVEN-VQHVLOKHSA-N |
| Mol Weight | 173.21 g/mol |
| Molecular Formula | C11H11NO |
| Exact Mass | 173.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KrpLGOi5Fca |
|---|---|
| Name | 4-Hydroxy-3-methyl-4-phenylbut-2-enenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.084063977 u |
| Formula | C11H11NO |
| InChI | InChI=1S/C11H11NO/c1-9(7-8-12)11(13)10-5-3-2-4-6-10/h2-7,11,13H,1H3/b9-7+ |
| InChIKey | IXJZCDHGGLPVEN-VQHVLOKHSA-N |
| Molecular Weight | 173.215 g/mol |
| SMILES | C(#N)\C=C\(C(C=1C=CC=CC1)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926121 |