![Ethyl 8-methyl-1,3-dioxo-2-phenyl-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxylate](/api/spectrum/1298j0XrILZ/structure.png?h=300&w=458 "Ethyl 8-methyl-1,3-dioxo-2-phenyl-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxylate")
| SpectraBase Compound ID | ENROkHg6jCW |
|---|---|
| InChI | InChI=1S/C16H17N3O4/c1-3-23-14(20)13-10-9-11(2)18-15(21)17(16(22)19(13)18)12-7-5-4-6-8-12/h4-11,13H,3H2,1-2H3/t11-,13-/m0/s1 |
| InChIKey | RNQSODFKHJBYKB-AAEUAGOBSA-N |
| Mol Weight | 315.33 g/mol |
| Molecular Formula | C16H17N3O4 |
| Exact Mass | 315.121906 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1298j0XrILZ |
|---|---|
| Name | Ethyl 8-methyl-1,3-dioxo-2-phenyl-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H17N3O4 |
| InChI | InChI=1S/C16H17N3O4/c1-3-23-14(20)13-10-9-11(2)18-15(21)17(16(22)19(13)18)12-7-5-4-6-8-12/h4-11,13H,3H2,1-2H3/t11-,13-/m0/s1 |
| InChIKey | RNQSODFKHJBYKB-AAEUAGOBSA-N |
| Molecular Weight | 315.329 g/mol |
| SMILES | c1ccc(N2C(N3N(C2=O)[C@](C=C[C@]3(C(OCC)=O)[H])(C)[H])=O)cc1 |
| SPLASH | splash10-006x-9671000000-99dc4cf9338cb38981f4 |
| Source of Spectrum | AD-0-2532-0 |
| Synonyms | (5S,8S)-1,3-diketo-8-methyl-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxylic acid ethyl ester (5S,8S)-8-methyl-1,3-dioxo-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxylic acid ethyl ester Ethyl (5S,8S)-8-methyl-1,3-bis(oxidanylidene)-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxylate Ethyl (5S,8S)-8-methyl-1,3-dioxo-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxylate |
| Wiley ID | 1430803 |