| SpectraBase Compound ID | 9EyYab3s9pk |
|---|---|
| InChI | InChI=1S/C16H18O/c17-16(12-6-2-7-13-16)14-8-5-11-15-9-3-1-4-10-15/h1,3-4,8-10,14,17H,2,6-7,12-13H2/b14-8+ |
| InChIKey | VMBKHWTUSMUSKY-RIYZIHGNSA-N |
| Mol Weight | 226.32 g/mol |
| Molecular Formula | C16H18O |
| Exact Mass | 226.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KJnRbgZkh1 |
|---|---|
| Name | 1-(1-Hydroxycyclohexyl)-4-phenylbut-1-en-3-yne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.135765199 u |
| Formula | C16H18O |
| InChI | InChI=1S/C16H18O/c17-16(12-6-2-7-13-16)14-8-5-11-15-9-3-1-4-10-15/h1,3-4,8-10,14,17H,2,6-7,12-13H2/b14-8+ |
| InChIKey | VMBKHWTUSMUSKY-RIYZIHGNSA-N |
| Molecular Weight | 226.319 g/mol |
| SMILES | C(\C=C\C1(CCCCC1)O)#CC=1C=CC=CC1 |