![6-tert-Butyl-8-[(2-chloro-benzylidene)-amino]-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one](/api/spectrum/9NQrY8jv0xm/structure.png?h=300&w=458 "6-tert-Butyl-8-[(2-chloro-benzylidene)-amino]-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one")
| SpectraBase Compound ID | 6k8bobtFIdE |
|---|---|
| InChI | InChI=1S/C15H15ClN6O/c1-15(2,3)12-13(23)22(14-19-17-9-21(14)20-12)18-8-10-6-4-5-7-11(10)16/h4-9H,1-3H3/b18-8+ |
| InChIKey | YDDJOERWDOOXKY-QGMBQPNBSA-N |
| Mol Weight | 330.78 g/mol |
| Molecular Formula | C15H15ClN6O |
| Exact Mass | 330.099587 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9NQrY8jv0xm |
|---|---|
| Name | 6-tert-Butyl-8-[(2-chloro-benzylidene)-amino]-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one |
| Alternate Name(s) | 6-tert-Butyl-8-[(E)-(2-chlorobenzylidene)amino]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one 6-tert-Butyl-8-[(E)-(2-chlorophenyl)methyleneamino]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one 6-tert-Butyl-8-[(E)-(2-chlorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one 6-tert-Butyl-8-{[(E)-(2-chlorophenyl)methylidene]amino}[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H15ClN6O |
| InChI | InChI=1S/C15H15ClN6O/c1-15(2,3)12-13(23)22(14-19-17-9-21(14)20-12)18-8-10-6-4-5-7-11(10)16/h4-9H,1-3H3/b18-8+ |
| InChIKey | YDDJOERWDOOXKY-QGMBQPNBSA-N |
| Molecular Weight | 330.779 g/mol |
| SMILES | c1ccc(\C=N\N2c3[n](cnn3)N=C(C2=O)C(C)(C)C)c(Cl)c1 |
| SPLASH | splash10-03di-3910000000-b1d28b2e9c495484e40c |
| Wiley ID | 1437469 |