| SpectraBase Spectrum ID |
HiEfZIJgNPf |
| Name |
1-Hexanone, 2-bromo-4-nitro-1,3-diphenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
375.047006441 u |
| Formula |
C18H18BrNO3 |
| InChI |
InChI=1S/C18H18BrNO3/c1-2-15(20(22)23)16(13-9-5-3-6-10-13)17(19)18(21)14-11-7-4-8-12-14/h3-12,15-17H,2H2,1H3 |
| InChIKey |
CGOXFJLXULUCDF-UHFFFAOYSA-N |
| Molecular Weight |
376.250 g/mol |
| SMILES |
C(C)C(C(C(Br)C(C1=CC=CC=C1)=O)C1=CC=CC=C1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919941 |
