| SpectraBase Spectrum ID |
E5o4eeJvDLc |
| Name |
6-Bromanyl-1,4,7-tris(oxidanylidene)benzo[7]annulene-8-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
288.937455990 u |
| Formula |
C12H4BrNO3 |
| InChI |
InChI=1S/C12H4BrNO3/c13-9-4-8-7(3-6(5-14)12(9)17)10(15)1-2-11(8)16/h1-4H |
| InChIKey |
TYDYRFWFGTVJES-UHFFFAOYSA-N |
| SMILES |
C12=C(C=C(Br)C(C(=C2)C#N)=O)C(=O)C=CC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935754 |
![6-Bromanyl-1,4,7-tris(oxidanylidene)benzo[7]annulene-8-carbonitrile](/api/spectrum/E5o4eeJvDLc/structure.png?h=300&w=458 "6-Bromanyl-1,4,7-tris(oxidanylidene)benzo[7]annulene-8-carbonitrile")
