| SpectraBase Compound ID | ACJN7BcSahr |
|---|---|
| InChI | InChI=1S/C12H20O/c1-2-3-4-6-9-12(13)10-7-5-8-11-12/h13H,2-5,7-8,10-11H2,1H3 |
| InChIKey | UJYZRMROGXVXFD-UHFFFAOYSA-N |
| Mol Weight | 180.29 g/mol |
| Molecular Formula | C12H20O |
| Exact Mass | 180.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 57njFcfQj1s |
|---|---|
| Name | 1-(1-Hexynyl)cyclohexanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.151415263 u |
| Formula | C12H20O |
| InChI | InChI=1S/C12H20O/c1-2-3-4-6-9-12(13)10-7-5-8-11-12/h13H,2-5,7-8,10-11H2,1H3 |
| InChIKey | UJYZRMROGXVXFD-UHFFFAOYSA-N |
| Molecular Weight | 180.291 g/mol |
| SMILES | C(#CCCCC)C1(O)CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.912753 |