| SpectraBase Compound ID | CEc1jHZq8JY |
|---|---|
| InChI | InChI=1S/C10H16O2/c1-5-6-7-8(12-7)9(11)10(2,3)4/h5-8H,1-4H3/b6-5+ |
| InChIKey | ZRABALCCLBVDOL-AATRIKPKSA-N |
| Mol Weight | 168.24 g/mol |
| Molecular Formula | C10H16O2 |
| Exact Mass | 168.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8l9wGaXeQp2 |
|---|---|
| Name | 2,2-Dimethyl-4,5-epoxy-6-octen-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.115029753 u |
| Formula | C10H16O2 |
| InChI | InChI=1S/C10H16O2/c1-5-6-7-8(12-7)9(11)10(2,3)4/h5-8H,1-4H3/b6-5+ |
| InChIKey | ZRABALCCLBVDOL-AATRIKPKSA-N |
| Molecular Weight | 168.236 g/mol |
| SMILES | CC(C(C1C(\C=C\C)O1)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.918959 |