| SpectraBase Compound ID | 2BQPsPCQzfq |
|---|---|
| InChI | InChI=1S/C10H18O2/c1-7(2)8(11)6-9(12)10(3,4)5/h6-7,12H,1-5H3/b9-6- |
| InChIKey | VPPCLFAKFZSXTJ-TWGQIWQCSA-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 | B70HCFZYjql |
|---|---|
| Name | 2,2,6-Trimethylheptan-3,5-dione, enol-form |
| 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/c1-7(2)8(11)6-9(12)10(3,4)5/h6-7,12H,1-5H3/b9-6- |
| InChIKey | VPPCLFAKFZSXTJ-TWGQIWQCSA-N |
| Molecular Weight | 170.252 g/mol |
| SMILES | O\C(=C/C(C(C)C)=O)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959401 |