| SpectraBase Compound ID | 4NJ7C3ycGWB |
|---|---|
| InChI | InChI=1S/C11H11NO/c1-9(7-8-12)11(13)10-5-3-2-4-6-10/h2-6,9H,7H2,1H3 |
| InChIKey | HXCPGRBCISMIQZ-UHFFFAOYSA-N |
| Mol Weight | 173.21 g/mol |
| Molecular Formula | C11H11NO |
| Exact Mass | 173.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JsvA5Gm2PqD |
|---|---|
| Name | 3-Methyl-4-oxidanylidene-4-phenyl-butanenitrile |
| 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/h2-6,9H,7H2,1H3 |
| InChIKey | HXCPGRBCISMIQZ-UHFFFAOYSA-N |
| Molecular Weight | 173.215 g/mol |
| SMILES | C(#N)CC(C(=O)C1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956617 |