| SpectraBase Compound ID | IxNjbpgOTVn |
|---|---|
| InChI | InChI=1S/C12H20O/c1-4-5-6-10-7-11(13)9-12(2,3)8-10/h7H,4-6,8-9H2,1-3H3 |
| InChIKey | ORPKYSDROGAQAE-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 | Gli55Xz6Z5w |
|---|---|
| Name | 3-Butyl-5,5-dimethylcyclohex-2-enone |
| 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/c1-4-5-6-10-7-11(13)9-12(2,3)8-10/h7H,4-6,8-9H2,1-3H3 |
| InChIKey | ORPKYSDROGAQAE-UHFFFAOYSA-N |
| Molecular Weight | 180.291 g/mol |
| SMILES | C1(C=C(CC(C1)(C)C)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970558 |