| SpectraBase Compound ID | BVOwelDoDTL |
|---|---|
| InChI | InChI=1S/C10H20O/c1-6-9(11)7-8(2)10(3,4)5/h8H,6-7H2,1-5H3/t8-/m1/s1 |
| InChIKey | ZCRULDAKTHQDBK-MRVPVSSYSA-N |
| Mol Weight | 156.27 g/mol |
| Molecular Formula | C10H20O |
| Exact Mass | 156.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DJus9tfAnLW |
|---|---|
| Name | (R)-5,6,6-Trimethylheptane-3-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/c1-6-9(11)7-8(2)10(3,4)5/h8H,6-7H2,1-5H3/t8-/m1/s1 |
| InChIKey | ZCRULDAKTHQDBK-MRVPVSSYSA-N |
| Molecular Weight | 156.269 g/mol |
| SMILES | C([C@@](CC(=O)CC)(C)[H])(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.983545 |