| SpectraBase Spectrum ID |
DyFb9r12Ni1 |
| Name |
2-[(4-Bromophenyl)(2,3,4,5-tetrafluoro-6-nitrophenylamino)methyl]but-3-en-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
445.988917871 u |
| Formula |
C17H11BrF4N2O3 |
| InChI |
InChI=1S/C17H11BrF4N2O3/c1-7(8(2)25)15(9-3-5-10(18)6-4-9)23-16-13(21)11(19)12(20)14(22)17(16)24(26)27/h3-6,15,23H,1H2,2H3 |
| InChIKey |
TUXWTUARVIZRKI-UHFFFAOYSA-N |
| Molecular Weight |
447.184 g/mol |
| SMILES |
C1(=C(C(F)=C(C(=C1F)F)F)NC(C(C(=O)C)=C)C=1C=CC(=CC1)Br)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842094 |
![2-[(4-Bromophenyl)(2,3,4,5-tetrafluoro-6-nitrophenylamino)methyl]but-3-en-2-one](/api/spectrum/DyFb9r12Ni1/structure.png?h=300&w=458 "2-[(4-Bromophenyl)(2,3,4,5-tetrafluoro-6-nitrophenylamino)methyl]but-3-en-2-one")
