![3-[4-(Trifluoromethyl)phenyl]cycloheptanone](/api/spectrum/CaeHPAiALUe/structure.png?h=300&w=458 "3-[4-(Trifluoromethyl)phenyl]cycloheptanone")
| SpectraBase Compound ID | 6RVVGWtRasS |
|---|---|
| InChI | InChI=1S/C14H15F3O/c15-14(16,17)12-7-5-10(6-8-12)11-3-1-2-4-13(18)9-11/h5-8,11H,1-4,9H2 |
| InChIKey | ZWENMTVITMFMQH-UHFFFAOYSA-N |
| Mol Weight | 256.27 g/mol |
| Molecular Formula | C14H15F3O |
| Exact Mass | 256.1075 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CaeHPAiALUe |
|---|---|
| Name | 3-[4-(Trifluoromethyl)phenyl]cycloheptanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.107499591 u |
| Formula | C14H15F3O |
| InChI | InChI=1S/C14H15F3O/c15-14(16,17)12-7-5-10(6-8-12)11-3-1-2-4-13(18)9-11/h5-8,11H,1-4,9H2 |
| InChIKey | ZWENMTVITMFMQH-UHFFFAOYSA-N |
| Molecular Weight | 256.268 g/mol |
| SMILES | C(C=1C=CC(C2CC(=O)CCCC2)=CC1)(F)(F)F |