![2-Butynone, 1-acetyl-4-[1-piperidyl]-](/api/spectrum/rOutVFHwRL/structure.png?h=300&w=458 "2-Butynone, 1-acetyl-4-[1-piperidyl]-")
| SpectraBase Compound ID | 2pyifTNCaQ3 |
|---|---|
| InChI | InChI=1S/C11H17NO/c1-11(13)7-3-6-10-12-8-4-2-5-9-12/h2,4-5,7-10H2,1H3 |
| InChIKey | ZJYIARXQHSUIMU-UHFFFAOYSA-N |
| Mol Weight | 179.26 g/mol |
| Molecular Formula | C11H17NO |
| Exact Mass | 179.131014 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | rOutVFHwRL |
|---|---|
| Name | 2-Butynone, 1-acetyl-4-[1-piperidyl]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.131014170 u |
| Formula | C11H17NO |
| InChI | InChI=1S/C11H17NO/c1-11(13)7-3-6-10-12-8-4-2-5-9-12/h2,4-5,7-10H2,1H3 |
| InChIKey | ZJYIARXQHSUIMU-UHFFFAOYSA-N |
| Molecular Weight | 179.263 g/mol |
| SMILES | C1N(CCCC1)CC#CCC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96341 |