| SpectraBase Spectrum ID |
KGpAFFjf2Yh |
| Name |
N-Benzyl-1-(5-bromo-2-(but-2-yn-1-yloxy)phenyl)methanamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958835 |
