| SpectraBase Compound ID | 35v7GyCs2ME |
|---|---|
| InChI | InChI=1S/C10H20O/c1-6-7-9(8(2)11)10(3,4)5/h9H,6-7H2,1-5H3 |
| InChIKey | JOVFKGOQUOXTBX-UHFFFAOYSA-N |
| Mol Weight | 156.27 g/mol |
| Molecular Formula | C10H20O |
| Exact Mass | 156.151415 g/mol |
| SpectraBase Spectrum ID | SDo8OSBTUp |
|---|---|
| Name | 3-T-Butylhexan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.151415263 u |
| Formula | C10H20O |
| InChI | InChI=1S/C10H20O/c1-6-7-9(8(2)11)10(3,4)5/h9H,6-7H2,1-5H3 |
| InChIKey | JOVFKGOQUOXTBX-UHFFFAOYSA-N |
| Molecular Weight | 156.269 g/mol |
| SMILES | C(=O)(C(C(C)(C)C)CCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97633 |