SpectraBase Spectrum ID |
GnxLCeGKkzQ |
Name |
3-Bromo-5-chloro-2-(difluoromethoxy)aniline, N,N-dimethyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
298.952410939 u |
Formula |
C9H9BrClF2NO |
InChI |
InChI=1S/C9H9BrClF2NO/c1-14(2)7-4-5(11)3-6(10)8(7)15-9(12)13/h3-4,9H,1-2H3 |
InChIKey |
ZEJBXYSVNUARPF-UHFFFAOYSA-N |
Molecular Weight |
300.531 g/mol |
SMILES |
C(F)(F)OC1=C(C=C(C=C1N(C)C)Cl)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847554 |