| SpectraBase Spectrum ID |
Kv0GDx8Ze1C |
| Name |
(1.alpha.,2.alpha.,5.alpha.,6.alpha.)-1,6-Dibromo-8-methyl-8-azatricyclo[4.3.0.0(2,5)]non-3-ene-7,9-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.884354467 u |
| Formula |
C9H7Br2NO2 |
| InChI |
InChI=1S/C9H7Br2NO2/c1-12-6(13)8(10)4-2-3-5(4)9(8,11)7(12)14/h2-5H,1H3/t4-,5+,8-,9+ |
| InChIKey |
VYYZROPERXGTIK-QDDVHSQXSA-N |
| Molecular Weight |
320.968 g/mol |
| SMILES |
[C@]12([C@@](C(=O)N(C2=O)C)(Br)[C@]2([C@@]1(C=C2)[H])[H])Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91595 |
![(1.alpha.,2.alpha.,5.alpha.,6.alpha.)-1,6-Dibromo-8-methyl-8-azatricyclo[4.3.0.0(2,5)]non-3-ene-7,9-dione](/api/spectrum/Kv0GDx8Ze1C/structure.png?h=300&w=458 "(1.alpha.,2.alpha.,5.alpha.,6.alpha.)-1,6-Dibromo-8-methyl-8-azatricyclo[4.3.0.0(2,5)]non-3-ene-7,9-dione")
