| SpectraBase Compound ID | 9VN04geIxzl |
|---|---|
| InChI | InChI=1S/C8H16O2/c1-4-5-7(9)6-8(2,3)10/h10H,4-6H2,1-3H3 |
| InChIKey | SLBRLDSZDNWJSU-UHFFFAOYSA-N |
| Mol Weight | 144.21 g/mol |
| Molecular Formula | C8H16O2 |
| Exact Mass | 144.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K9pjo50EdXY |
|---|---|
| Name | 2-Hydroxy-2-methyl-4-heptanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.115029753 u |
| Formula | C8H16O2 |
| InChI | InChI=1S/C8H16O2/c1-4-5-7(9)6-8(2,3)10/h10H,4-6H2,1-3H3 |
| InChIKey | SLBRLDSZDNWJSU-UHFFFAOYSA-N |
| Molecular Weight | 144.214 g/mol |
| SMILES | C(=O)(CC(C)(O)C)CCC |