| SpectraBase Compound ID | FpAfoC11hje |
|---|---|
| InChI | InChI=1S/C14H13NO/c15-10-13-3-1-11(2-4-13)9-12-5-7-14(16)8-6-12/h1-5,7,12H,6,8-9H2 |
| InChIKey | HQVJJAGTXAEKTC-UHFFFAOYSA-N |
| Mol Weight | 211.26 g/mol |
| Molecular Formula | C14H13NO |
| Exact Mass | 211.099714 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AmQnpcn54Jl |
|---|---|
| Name | 4-(p-Cyanobenzyl)cyclohex-2-en-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.099714042 u |
| Formula | C14H13NO |
| InChI | InChI=1S/C14H13NO/c15-10-13-3-1-11(2-4-13)9-12-5-7-14(16)8-6-12/h1-5,7,12H,6,8-9H2 |
| InChIKey | HQVJJAGTXAEKTC-UHFFFAOYSA-N |
| Molecular Weight | 211.264 g/mol |
| SMILES | C(#N)C=1C=CC(=CC1)CC1C=CC(CC1)=O |