| SpectraBase Compound ID | 7eg9kB32EA1 |
|---|---|
| InChI | InChI=1S/C15H18O/c1-12-7-5-6-10-14(12)11-15(16)13-8-3-2-4-9-13/h2-4,8-9,11-12H,5-7,10H2,1H3/b14-11+ |
| InChIKey | QJPMZSZMCNETBM-SDNWHVSQSA-N |
| Mol Weight | 214.31 g/mol |
| Molecular Formula | C15H18O |
| Exact Mass | 214.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HGlEsOTU12n |
|---|---|
| Name | (E)-2-(2-Methylcyclohexylidene)-1-phenylethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.135765199 u |
| Formula | C15H18O |
| InChI | InChI=1S/C15H18O/c1-12-7-5-6-10-14(12)11-15(16)13-8-3-2-4-9-13/h2-4,8-9,11-12H,5-7,10H2,1H3/b14-11+ |
| InChIKey | QJPMZSZMCNETBM-SDNWHVSQSA-N |
| Molecular Weight | 214.308 g/mol |
| SMILES | C1(\C(=C\C(=O)C=2C=CC=CC2)CCCC1)C |