| SpectraBase Compound ID | 6KscBo2AfMJ |
|---|---|
| InChI | InChI=1S/C8H16O/c1-6(7(2)9)8(3,4)5/h6H,1-5H3 |
| InChIKey | RAQLTZBGPDCFJW-UHFFFAOYSA-N |
| Mol Weight | 128.21 g/mol |
| Molecular Formula | C8H16O |
| Exact Mass | 128.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5eFGEdRROw8 |
|---|---|
| Name | 3,4,4-Trimethyl-2-pentanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.120115134 u |
| Formula | C8H16O |
| InChI | InChI=1S/C8H16O/c1-6(7(2)9)8(3,4)5/h6H,1-5H3 |
| InChIKey | RAQLTZBGPDCFJW-UHFFFAOYSA-N |
| Molecular Weight | 128.215 g/mol |
| SMILES | CC(C(C)(C)C)C(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982932 |