![8,9-Dibromo-2-phenylhexahydro-[1,2,4]triazolo[1,2-a]cinnoline-1,3,6-trione](/api/spectrum/58JCSHqEVYp/structure.png?h=300&w=458 "8,9-Dibromo-2-phenylhexahydro-[1,2,4]triazolo[1,2-a]cinnoline-1,3,6-trione")
| SpectraBase Compound ID | IQKT1A0nkJW |
|---|---|
| InChI | InChI=1S/C16H15Br2N3O3/c17-11-6-10-13(7-12(11)18)21-16(24)20(9-4-2-1-3-5-9)15(23)19(21)8-14(10)22/h1-5,10-13H,6-8H2 |
| InChIKey | FSDGTMIJEDXDEW-UHFFFAOYSA-N |
| Mol Weight | 457.12 g/mol |
| Molecular Formula | C16H15Br2N3O3 |
| Exact Mass | 454.948017 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 58JCSHqEVYp |
|---|---|
| Name | 8,9-Dibromo-2-phenylhexahydro-[1,2,4]triazolo[1,2-a]cinnoline-1,3,6-trione |
| Alternate Name(s) | 8,9-bis(bromanyl)-2-phenyl-6a,7,8,9,10,10a-hexahydro-5H-[1,2,4]triazolo[1,2-a]cinnoline-1,3,6-trione 8,9-Dibromo-2-phenyl-6a,7,8,9,10,10a-hexahydro-5H-[1,2,4]triazolo[1,2-a]cinnoline-1,3,6-trione 8,9-Dibromo-2-phenylhexahydro-1H-[1,2,4]triazolo[1,2-a]cinnoline-1,3,6(2H,5H)-trione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H15Br2N3O3 |
| InChI | InChI=1S/C16H15Br2N3O3/c17-11-6-10-13(7-12(11)18)21-16(24)20(9-4-2-1-3-5-9)15(23)19(21)8-14(10)22/h1-5,10-13H,6-8H2 |
| InChIKey | FSDGTMIJEDXDEW-UHFFFAOYSA-N |
| Molecular Weight | 457.122 g/mol |
| SMILES | c1cccc(N2C(N3N(C4C(C(C3)=O)CC(C(C4)Br)Br)C2=O)=O)c1 |
| SPLASH | splash10-0690-9810200000-5ed497c9d1b5ef2bf627 |
| Wiley ID | 1475006 |