| SpectraBase Compound ID | 2ZIFUhPZdze |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-5-6-7(10)8(11)9(2,3)4/h5-6,8,11H,1-4H3/b6-5+ |
| InChIKey | IZSKROAXYLYQKN-AATRIKPKSA-N |
| Mol Weight | 156.22 g/mol |
| Molecular Formula | C9H16O2 |
| Exact Mass | 156.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8vVpxUxLtBs |
|---|---|
| Name | (E)-5-Hydroxy-6,6-dimethyl-2-hepten-4-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.115029753 u |
| Formula | C9H16O2 |
| InChI | InChI=1S/C9H16O2/c1-5-6-7(10)8(11)9(2,3)4/h5-6,8,11H,1-4H3/b6-5+ |
| InChIKey | IZSKROAXYLYQKN-AATRIKPKSA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | C(C(C(C)(C)C)O)(\C=C\C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944635 |