| SpectraBase Spectrum ID |
I96k8FcmNnM |
| Name |
4-Amino-2-bromobenzonitrile, N,N-bis-acetyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
279.984740536 u |
| Formula |
C11H9BrN2O2 |
| InChI |
InChI=1S/C11H9BrN2O2/c1-7(15)14(8(2)16)10-4-3-9(6-13)11(12)5-10/h3-5H,1-2H3 |
| InChIKey |
ZNUWVSFHZGJWPO-UHFFFAOYSA-N |
| Molecular Weight |
281.109 g/mol |
| SMILES |
CC(=O)N(C(C)=O)C=1C=C(Br)C(C#N)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925503 |
