| SpectraBase Spectrum ID |
HaJQcvYqlGH |
| Name |
7,8-Dichloro-1,2-dihydro-3-phenylpyrrolo[1,2-B]-1,2,4,5-tetrazin-6(8ah)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.007516293 u |
| Formula |
C11H8Cl2N4O |
| InChI |
InChI=1S/C11H8Cl2N4O/c12-7-8(13)11(18)17-10(7)15-14-9(16-17)6-4-2-1-3-5-6/h1-5,10,15H,(H,14,16) |
| InChIKey |
OMPOXAKUVJTUEI-UHFFFAOYSA-N |
| Molecular Weight |
283.118 g/mol |
| SMILES |
C12N(N=C(NN2)C=2C=CC=CC2)C(C(=C1Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938702 |
![7,8-Dichloro-1,2-dihydro-3-phenylpyrrolo[1,2-B]-1,2,4,5-tetrazin-6(8ah)-one](/api/spectrum/HaJQcvYqlGH/structure.png?h=300&w=458 "7,8-Dichloro-1,2-dihydro-3-phenylpyrrolo[1,2-B]-1,2,4,5-tetrazin-6(8ah)-one")
