| SpectraBase Compound ID | Eg7Xo0V6N7j |
|---|---|
| InChI | InChI=1S/C12H18O/c1-3-7-12(8-4-2)9-5-11(13)6-10-12/h3-4H,1-2,5-10H2 |
| InChIKey | QBLFCSXMXZLEKO-UHFFFAOYSA-N |
| Mol Weight | 178.27 g/mol |
| Molecular Formula | C12H18O |
| Exact Mass | 178.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7fZrKUPMDQe |
|---|---|
| Name | 4,4-Diallyl-cyclohexanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.135765199 u |
| Formula | C12H18O |
| InChI | InChI=1S/C12H18O/c1-3-7-12(8-4-2)9-5-11(13)6-10-12/h3-4H,1-2,5-10H2 |
| InChIKey | QBLFCSXMXZLEKO-UHFFFAOYSA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | C1(=O)CCC(CC1)(CC=C)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.821329 |