| SpectraBase Compound ID | Cq6gHLS8FF4 |
|---|---|
| InChI | InChI=1S/C13H24O/c1-3-4-5-7-11(2)12-8-6-9-13(14)10-12/h11-12H,3-10H2,1-2H3 |
| InChIKey | HCMPDJPJPDCPAN-UHFFFAOYSA-N |
| Mol Weight | 196.33 g/mol |
| Molecular Formula | C13H24O |
| Exact Mass | 196.182715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GpL8VHdny9l |
|---|---|
| Name | 3-(Heptan-2-yl)cyclohexanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.182715392 u |
| Formula | C13H24O |
| InChI | InChI=1S/C13H24O/c1-3-4-5-7-11(2)12-8-6-9-13(14)10-12/h11-12H,3-10H2,1-2H3 |
| InChIKey | HCMPDJPJPDCPAN-UHFFFAOYSA-N |
| Molecular Weight | 196.334 g/mol |
| SMILES | C1CCC(C(C)CCCCC)CC1=O |