| SpectraBase Compound ID | JrTKnhUxqtx |
|---|---|
| InChI | InChI=1S/C10H20O/c1-5-10(8(2)3)7-6-9(4)11/h8,10H,5-7H2,1-4H3 |
| InChIKey | XUBSBHBBQDKNTO-UHFFFAOYSA-N |
| Mol Weight | 156.27 g/mol |
| Molecular Formula | C10H20O |
| Exact Mass | 156.151415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6VOWlJ2tCOS |
|---|---|
| Name | 5-Isopropyl-2-heptanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.151415263 u |
| Formula | C10H20O |
| InChI | InChI=1S/C10H20O/c1-5-10(8(2)3)7-6-9(4)11/h8,10H,5-7H2,1-4H3 |
| InChIKey | XUBSBHBBQDKNTO-UHFFFAOYSA-N |
| Molecular Weight | 156.269 g/mol |
| SMILES | CC(CCC(CC)C(C)C)=O |