| SpectraBase Compound ID | 8EZCoDIDqYi |
|---|---|
| InChI | InChI=1S/C16H21N/c1-17(16-12-6-3-7-13-16)14-8-11-15-9-4-2-5-10-15/h2,4-5,9-10,16H,3,6-7,12-14H2,1H3 |
| InChIKey | AATGTXDKJTVLAB-UHFFFAOYSA-N |
| Mol Weight | 227.35 g/mol |
| Molecular Formula | C16H21N |
| Exact Mass | 227.1674 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 | H9jJu5sXIIl |
|---|---|
| Name | N-Methyl-N-(3-phenylprop-2-yn-1-yl)cyclohexanamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.167399680 u |
| Formula | C16H21N |
| InChI | InChI=1S/C16H21N/c1-17(16-12-6-3-7-13-16)14-8-11-15-9-4-2-5-10-15/h2,4-5,9-10,16H,3,6-7,12-14H2,1H3 |
| InChIKey | AATGTXDKJTVLAB-UHFFFAOYSA-N |
| Molecular Weight | 227.351 g/mol |
| SMILES | C=1C=CC(C#CCN(C2CCCCC2)C)=CC1 |