| SpectraBase Compound ID | 1aQOgrdxDYR |
|---|---|
| InChI | InChI=1S/C11H16O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h10H,2,5-9H2,1H3 |
| InChIKey | JBVMJVWNAIMYGL-UHFFFAOYSA-N |
| Mol Weight | 164.25 g/mol |
| Molecular Formula | C11H16O |
| Exact Mass | 164.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Fx3wF33g488 |
|---|---|
| Name | 2-Pentynylcyclohexanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.120115134 u |
| Formula | C11H16O |
| InChI | InChI=1S/C11H16O/c1-2-3-4-7-10-8-5-6-9-11(10)12/h10H,2,5-9H2,1H3 |
| InChIKey | JBVMJVWNAIMYGL-UHFFFAOYSA-N |
| Molecular Weight | 164.248 g/mol |
| SMILES | C1(C(CCCC1)CC#CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914152 |