| SpectraBase Compound ID | 8HMHhW3zmIJ |
|---|---|
| InChI | InChI=1S/C13H16O2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1,3,5,7,11,14H,2,4,6,8-9H2 |
| InChIKey | ZCGPTKXZRXEMFA-UHFFFAOYSA-N |
| Mol Weight | 204.27 g/mol |
| Molecular Formula | C13H16O2 |
| Exact Mass | 204.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FsX70e30aT |
|---|---|
| Name | 2-Salicylcyclohexanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.115029753 u |
| Formula | C13H16O2 |
| InChI | InChI=1S/C13H16O2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1,3,5,7,11,14H,2,4,6,8-9H2 |
| InChIKey | ZCGPTKXZRXEMFA-UHFFFAOYSA-N |
| Molecular Weight | 204.269 g/mol |
| SMILES | C(C=1C(O)=CC=CC1)C1C(=O)CCCC1 |