| SpectraBase Compound ID | 2wLyYuyRrBf |
|---|---|
| InChI | InChI=1S/C7H12O2/c1-4-5-6(8)7(2,3)9/h4-5,9H,1-3H3/b5-4+ |
| InChIKey | BOICBTFXAYDYLD-SNAWJCMRSA-N |
| Mol Weight | 128.17 g/mol |
| Molecular Formula | C7H12O2 |
| Exact Mass | 128.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | b24367NoQt |
|---|---|
| Name | (E)-2-Hydroxy-2-methyl-4-hexen-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.083729624 u |
| Formula | C7H12O2 |
| InChI | InChI=1S/C7H12O2/c1-4-5-6(8)7(2,3)9/h4-5,9H,1-3H3/b5-4+ |
| InChIKey | BOICBTFXAYDYLD-SNAWJCMRSA-N |
| SMILES | C(C(O)(C)C)(\C=C\C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.8561 |