| SpectraBase Compound ID | D7KVSisV3FL |
|---|---|
| InChI | InChI=1S/C12H16O/c1-2-3-4-5-7-11-8-6-9-12(13)10-11/h10H,2-4,6,8-9H2,1H3 |
| InChIKey | WBDYUWNZNNPQRI-UHFFFAOYSA-N |
| Mol Weight | 176.26 g/mol |
| Molecular Formula | C12H16O |
| Exact Mass | 176.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4iGg7t0jMWU |
|---|---|
| Name | 3-hex-1-Ynyl-1-cyclohex-2-enone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.120115134 u |
| Formula | C12H16O |
| InChI | InChI=1S/C12H16O/c1-2-3-4-5-7-11-8-6-9-12(13)10-11/h10H,2-4,6,8-9H2,1H3 |
| InChIKey | WBDYUWNZNNPQRI-UHFFFAOYSA-N |
| Molecular Weight | 176.259 g/mol |
| SMILES | C(#CCCCC)C1=CC(=O)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970887 |