| SpectraBase Compound ID | 7FW5In3hpri |
|---|---|
| InChI | InChI=1S/C11H19NO/c1-10(2,3)8(7-12)9(13)11(4,5)6/h8H,1-6H3 |
| InChIKey | WLZOXACIKIYTIR-UHFFFAOYSA-N |
| Mol Weight | 181.28 g/mol |
| Molecular Formula | C11H19NO |
| Exact Mass | 181.146664 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 75NoMbKh5HE |
|---|---|
| Name | 4-Cyano-2,2,5,5-tetramethyl-3-hexanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.146664235 u |
| Formula | C11H19NO |
| InChI | InChI=1S/C11H19NO/c1-10(2,3)8(7-12)9(13)11(4,5)6/h8H,1-6H3 |
| InChIKey | WLZOXACIKIYTIR-UHFFFAOYSA-N |
| Molecular Weight | 181.279 g/mol |
| SMILES | CC(C(C(C(C)(C)C)C#N)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.856885 |