| SpectraBase Compound ID | IHv0gxzRweK |
|---|---|
| InChI | InChI=1S/C11H18O/c1-3-5-7-8-10-11(12)9-6-4-2/h3-7,9H2,1-2H3 |
| InChIKey | YUVPMURKSQFVAJ-UHFFFAOYSA-N |
| Mol Weight | 166.26 g/mol |
| Molecular Formula | C11H18O |
| Exact Mass | 166.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FN0c90rnWtf |
|---|---|
| Name | Undec-6-yn-5-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.135765199 u |
| Formula | C11H18O |
| InChI | InChI=1S/C11H18O/c1-3-5-7-8-10-11(12)9-6-4-2/h3-7,9H2,1-2H3 |
| InChIKey | YUVPMURKSQFVAJ-UHFFFAOYSA-N |
| Molecular Weight | 166.264 g/mol |
| SMILES | CCCCC(C#CCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.83717 |