| SpectraBase Spectrum ID |
DFrWE8UYc6W |
| Name |
4-Acetyl-5-(bromoacetyl)-2,8-dxbromo-10,11-dihydro-5H-dibenz[B,F]azepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
512.857467693 u |
| Formula |
C18H14Br3NO2 |
| InChI |
InChI=1S/C18H14Br3NO2/c1-10(23)15-8-14(21)7-12-3-2-11-6-13(20)4-5-16(11)22(18(12)15)17(24)9-19/h4-8H,2-3,9H2,1H3 |
| InChIKey |
ORFWKJYCQYHHQK-UHFFFAOYSA-N |
| Molecular Weight |
516.027 g/mol |
| SMILES |
C1=2C=CC(=CC2CCC=2C=C(C=C(C2N1C(CBr)=O)C(=O)C)Br)Br |
| Spectrum/Structure Validation Score (Raman) |
0.804463 |
![4-acetyl-5-(bromoacetyl)-2,8-dxbromo-10,11-dihydro-5H-dibenz[b,f]azepine](/api/spectrum/DFrWE8UYc6W/structure.png?h=300&w=458 "4-acetyl-5-(bromoacetyl)-2,8-dxbromo-10,11-dihydro-5H-dibenz[b,f]azepine")
