| SpectraBase Spectrum ID |
Ec0mNB8blEp |
| Name |
5-Bromo-2'-chloro-4-fluoro-4'-nitrosalicylanilide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
387.926175572 u |
| Formula |
C13H7BrClFN2O4 |
| InChI |
InChI=1S/C13H7BrClFN2O4/c14-8-4-7(12(19)5-10(8)16)13(20)17-11-2-1-6(18(21)22)3-9(11)15/h1-5,19H,(H,17,20) |
| InChIKey |
XFBYOSKLSMDGDC-UHFFFAOYSA-N |
| Molecular Weight |
389.564 g/mol |
| SMILES |
OC1=C(C(=O)NC=2C(Cl)=CC(=CC2)N(=O)=O)C=C(C(=C1)F)Br |
| Spectrum/Structure Validation Score (Raman) |
0.980323 |
