| SpectraBase Compound ID | 5OOG4ei3DGA |
|---|---|
| InChI | InChI=1S/C11H15NO/c1-11(13)7-3-6-10-12-8-4-2-5-9-12/h6,10H,2,4-5,8-9H2,1H3/b10-6+ |
| InChIKey | QUTUSMFQKCKPOD-UXBLZVDNSA-N |
| Mol Weight | 177.25 g/mol |
| Molecular Formula | C11H15NO |
| Exact Mass | 177.115364 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3q1gQWaLvEa |
|---|---|
| Name | 5-Hexen-3-yn-2-one, 6-(1-piperidinyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.115364106 u |
| Formula | C11H15NO |
| InChI | InChI=1S/C11H15NO/c1-11(13)7-3-6-10-12-8-4-2-5-9-12/h6,10H,2,4-5,8-9H2,1H3/b10-6+ |
| InChIKey | QUTUSMFQKCKPOD-UXBLZVDNSA-N |
| Molecular Weight | 177.247 g/mol |
| SMILES | C(#CC(=O)C)\C=C\N1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937184 |