SpectraBase Spectrum ID |
HjuPeEuybFG |
Name |
4-(Benzyloxy)-3-bromo-5-fluoroaniline, N,N-bis-methyl |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
323.032105269 u |
Formula |
C15H15BrFNO |
InChI |
InChI=1S/C15H15BrFNO/c1-18(2)12-8-13(16)15(14(17)9-12)19-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3 |
InChIKey |
PKRBMAMUUPYZOM-UHFFFAOYSA-N |
Molecular Weight |
324.193 g/mol |
SMILES |
CN(C)C1=CC(F)=C(C(Br)=C1)OCC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92729 |