| SpectraBase Compound ID | BzTuSPQnt3O |
|---|---|
| InChI | InChI=1S/C13H24O/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h12H,2-11H2,1H3 |
| InChIKey | VKAXZCOOJVVLRH-UHFFFAOYSA-N |
| Mol Weight | 196.33 g/mol |
| Molecular Formula | C13H24O |
| Exact Mass | 196.182715 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BzdkhWxtjTF |
|---|---|
| Name | 1-Cyclohexyl-1-heptanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.182715392 u |
| Formula | C13H24O |
| InChI | InChI=1S/C13H24O/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h12H,2-11H2,1H3 |
| InChIKey | VKAXZCOOJVVLRH-UHFFFAOYSA-N |
| Molecular Weight | 196.334 g/mol |
| SMILES | C(=O)(C1CCCCC1)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952609 |