| SpectraBase Compound ID | CCaD3Qx9mWx |
|---|---|
| InChI | InChI=1S/C18H18BrNO/c1-2-3-11-21-18-10-9-17(19)12-16(18)14-20-13-15-7-5-4-6-8-15/h4-10,12,20H,11,13-14H2,1H3 |
| InChIKey | PFZTVVJQCFYIQP-UHFFFAOYSA-N |
| Mol Weight | 344.25 g/mol |
| Molecular Formula | C18H18BrNO |
| Exact Mass | 343.057177 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 | GlbowyUTNtO |
|---|---|
| Name | N-Benzyl-1-(5-bromo-2-(but-2-yn-1-yloxy)phenyl)methanamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 343.057177203 u |
| Formula | C18H18BrNO |
| InChI | InChI=1S/C18H18BrNO/c1-2-3-11-21-18-10-9-17(19)12-16(18)14-20-13-15-7-5-4-6-8-15/h4-10,12,20H,11,13-14H2,1H3 |
| InChIKey | PFZTVVJQCFYIQP-UHFFFAOYSA-N |
| Molecular Weight | 344.252 g/mol |
| SMILES | C=1(C=C(CNCC2=CC=CC=C2)C(=CC1)OCC#CC)Br |