| SpectraBase Compound ID | IbpRBcxAs7z |
|---|---|
| InChI | InChI=1S/C14H26O/c1-3-4-5-6-9-12(2)13-10-7-8-11-14(13)15/h12-13H,3-11H2,1-2H3 |
| InChIKey | BQMQNEXTTHKHPQ-UHFFFAOYSA-N |
| Mol Weight | 210.36 g/mol |
| Molecular Formula | C14H26O |
| Exact Mass | 210.198365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BJUQwmvBrtr |
|---|---|
| Name | Cyclohexanone, 2-(1-methylheptyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.198365456 u |
| Formula | C14H26O |
| InChI | InChI=1S/C14H26O/c1-3-4-5-6-9-12(2)13-10-7-8-11-14(13)15/h12-13H,3-11H2,1-2H3 |
| InChIKey | BQMQNEXTTHKHPQ-UHFFFAOYSA-N |
| Molecular Weight | 210.361 g/mol |
| SMILES | C(C(C)C1C(=O)CCCC1)CCCCC |