| SpectraBase Spectrum ID |
IdzQ8rZe1wL |
| Name |
2F-mda N-(3-Bromobenzyl) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
365.042669952 u |
| Formula |
C17H17BrFNO2 |
| InChI |
InChI=1S/C17H17BrFNO2/c1-11(20-9-12-3-2-4-14(18)8-12)7-13-5-6-15-17(16(13)19)22-10-21-15/h2-6,8,11,20H,7,9-10H2,1H3 |
| InChIKey |
CKNUTHZRTFIAPS-UHFFFAOYSA-N |
| Molecular Weight |
366.230 g/mol |
| SMILES |
C12=C(C(CC(NCC=3C=C(C=CC3)Br)C)=CC=C1OCO2)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898546 |
