| SpectraBase Compound ID | BBjHouVL7f |
|---|---|
| InChI | InChI=1S/C11H20O/c1-3-4-5-6-7-11(12)10-8-9(10)2/h9-10H,3-8H2,1-2H3 |
| InChIKey | NQQROHKBLXLSBA-UHFFFAOYSA-N |
| Mol Weight | 168.28 g/mol |
| Molecular Formula | C11H20O |
| Exact Mass | 168.151415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9HteoTQC1KU |
|---|---|
| Name | 1-(2-Methylcyclopropyl)-1-heptanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.151415263 u |
| Formula | C11H20O |
| InChI | InChI=1S/C11H20O/c1-3-4-5-6-7-11(12)10-8-9(10)2/h9-10H,3-8H2,1-2H3 |
| InChIKey | NQQROHKBLXLSBA-UHFFFAOYSA-N |
| Molecular Weight | 168.280 g/mol |
| SMILES | C1(CC1C)C(=O)CCCCCC |