| SpectraBase Spectrum ID |
LacbejE0R9n |
| Name |
Brompyrazone pfp |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.964180290 u |
| Formula |
C13H7BrF5N3O2 |
| InChI |
InChI=1S/C13H7BrF5N3O2/c14-9-8(21-11(24)12(15,16)13(17,18)19)6-20-22(10(9)23)7-4-2-1-3-5-7/h1-6H,(H,21,24) |
| InChIKey |
HJRCTPXVGFBNSW-UHFFFAOYSA-N |
| Molecular Weight |
412.114 g/mol |
| SMILES |
C(C(NC1=C(C(N(C2=CC=CC=C2)N=C1)=O)Br)=O)(C(F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873208 |
