![5,8-Etheno-1H-cyclopropa[d][1,2,4]triazolo[1,2-a][1,2]diazepine-1,3(2H)-dione, 6,6-dichloro-5,5a,6,6a,7,8-hexahydro-2-phenyl-](/api/spectrum/K4jjKl7K4of/structure.png?h=300&w=458 "5,8-Etheno-1H-cyclopropa[d][1,2,4]triazolo[1,2-a][1,2]diazepine-1,3(2H)-dione, 6,6-dichloro-5,5a,6,6a,7,8-hexahydro-2-phenyl-")
| SpectraBase Compound ID | kK0rWk9ntN |
|---|---|
| InChI | InChI=1S/C16H13Cl2N3O2/c17-16(18)11-8-10-6-7-12(13(11)16)21-15(23)19(14(22)20(10)21)9-4-2-1-3-5-9/h1-7,10-13H,8H2 |
| InChIKey | GSRVKLGURKHDPG-UHFFFAOYSA-N |
| Mol Weight | 350.21 g/mol |
| Molecular Formula | C16H13Cl2N3O2 |
| Exact Mass | 349.038482 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | K4jjKl7K4of |
|---|---|
| Name | 5,8-Etheno-1H-cyclopropa[d][1,2,4]triazolo[1,2-a][1,2]diazepine-1,3(2H)-dione, 6,6-dichloro-5,5a,6,6a,7,8-hexahydro-2-phenyl- |
| CAS Registry Number | 120428-79-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H13Cl2N3O2 |
| InChI | InChI=1S/C16H13Cl2N3O2/c17-16(18)11-8-10-6-7-12(13(11)16)21-15(23)19(14(22)20(10)21)9-4-2-1-3-5-9/h1-7,10-13H,8H2 |
| InChIKey | GSRVKLGURKHDPG-UHFFFAOYSA-N |
| Molecular Weight | 350.205 g/mol |
| SMILES | C12C(Cl)(Cl)C2CC2C=CC1N1N2C(=O)N(C1=O)c1ccccc1 |
| SPLASH | splash10-004j-0069000000-ca4545db802b3f92be1f |
| Source of Spectrum | B-41-1049-32 |
| Wiley ID | 1341263 |