| SpectraBase Compound ID | DoFJZyTlJTe |
|---|---|
| InChI | InChI=1S/C10H16O/c1-9(11)7-8-10-5-3-2-4-6-10/h5H,2-4,6-8H2,1H3 |
| InChIKey | PBYPRVVOUPHBTH-UHFFFAOYSA-N |
| Mol Weight | 152.24 g/mol |
| Molecular Formula | C10H16O |
| Exact Mass | 152.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FqiE1dAKT0 |
|---|---|
| Name | 4-(1-Cyclohexen-1-yl)-2-butanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.120115134 u |
| Formula | C10H16O |
| InChI | InChI=1S/C10H16O/c1-9(11)7-8-10-5-3-2-4-6-10/h5H,2-4,6-8H2,1H3 |
| InChIKey | PBYPRVVOUPHBTH-UHFFFAOYSA-N |
| Molecular Weight | 152.237 g/mol |
| SMILES | C1(=CCCCC1)CCC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.988153 |