| SpectraBase Compound ID | HF3vUCCl8jo |
|---|---|
| InChI | InChI=1S/C10H9ClN4O2/c11-5-1-2-6-7(3-5)9(17)15(8(6)16)10-12-4-13-14-10/h1,4,6-7H,2-3H2,(H,12,13,14) |
| InChIKey | GHQNMKXHBGBQQQ-UHFFFAOYSA-N |
| Mol Weight | 252.66 g/mol |
| Molecular Formula | C10H9ClN4O2 |
| Exact Mass | 252.041403 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7A92SVC2o2M |
|---|---|
| Name | 5-Chloro-2-(4H-1,2,4-triazol-3-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Alternate Name(s) | 5-Chloranyl-2-(1H-1,2,4-triazol-5-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione 5-Chloro-2-(1H-1,2,4-triazol-5-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione 5-Chloro-2-(1H-1,2,4-triazol-5-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Isoindole-1,3-dione, 5-chloro-2-(4H-[1,2,4]triazol-3-yl)-3a,4,7,7a-tetrahydro- |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H9ClN4O2 |
| InChI | InChI=1S/C10H9ClN4O2/c11-5-1-2-6-7(3-5)9(17)15(8(6)16)10-12-4-13-14-10/h1,4,6-7H,2-3H2,(H,12,13,14) |
| InChIKey | GHQNMKXHBGBQQQ-UHFFFAOYSA-N |
| Molecular Weight | 252.661 g/mol |
| SMILES | [nH]1cnnc1N1C(C2CC(Cl)=CCC2C1=O)=O |
| SPLASH | splash10-03fr-9720000000-2622158aa719a2813c24 |
| Wiley ID | 1438128 |