| SpectraBase Compound ID | K5KBYplwfM0 |
|---|---|
| InChI | InChI=1S/C10H18O2/c1-5-8(3)7-9(11)10(4,12)6-2/h7,12H,5-6H2,1-4H3/b8-7+ |
| InChIKey | ZUASWJWZAVNKFS-BQYQJAHWSA-N |
| Mol Weight | 170.25 g/mol |
| Molecular Formula | C10H18O2 |
| Exact Mass | 170.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EBIFUpwjVr8 |
|---|---|
| Name | (E)-3-Hydroxy-3,6-dimethyloct-5-en-4-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.130679818 u |
| Formula | C10H18O2 |
| InChI | InChI=1S/C10H18O2/c1-5-8(3)7-9(11)10(4,12)6-2/h7,12H,5-6H2,1-4H3/b8-7+ |
| InChIKey | ZUASWJWZAVNKFS-BQYQJAHWSA-N |
| Molecular Weight | 170.252 g/mol |
| SMILES | C(C(\C=C\(CC)C)=O)(O)(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958487 |