![5,7-Etheno-1H,5H-cyclopropa[d][1,2,4]triazolo[1,2-a]pyridazine-6-carboxylic acid, 2,3,5a,6,6a,7-hexahydro-2-methyl-1,3-dioxo-, methyl ester, (5.alpha.,5a.beta.,6.beta.,6a.beta.,7.alpha.)-](/api/spectrum/B3froqbCvZv/structure.png?h=300&w=458 "5,7-Etheno-1H,5H-cyclopropa[d][1,2,4]triazolo[1,2-a]pyridazine-6-carboxylic acid, 2,3,5a,6,6a,7-hexahydro-2-methyl-1,3-dioxo-, methyl ester, (5.alpha.,5a.beta.,6.beta.,6a.beta.,7.alpha.)-")
| SpectraBase Compound ID | JRhY8VQZhiw |
|---|---|
| InChI | InChI=1S/C12H13N3O4/c1-13-11(17)14-5-3-4-6(15(14)12(13)18)8-7(5)9(8)10(16)19-2/h3-9H,1-2H3/t5-,6+,7?,8?,9? |
| InChIKey | ABBNEEHIENKRFG-GFQQECDTSA-N |
| Mol Weight | 263.25 g/mol |
| Molecular Formula | C12H13N3O4 |
| Exact Mass | 263.090606 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B3froqbCvZv |
|---|---|
| Name | 5,7-Etheno-1H,5H-cyclopropa[d][1,2,4]triazolo[1,2-a]pyridazine-6-carboxylic acid, 2,3,5a,6,6a,7-hexahydro-2-methyl-1,3-dioxo-, methyl ester, (5.alpha.,5a.beta.,6.beta.,6a.beta.,7.alpha.)- |
| CAS Registry Number | 109746-62-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H13N3O4 |
| InChI | InChI=1S/C12H13N3O4/c1-13-11(17)14-5-3-4-6(15(14)12(13)18)8-7(5)9(8)10(16)19-2/h3-9H,1-2H3/t5-,6+,7?,8?,9? |
| InChIKey | ABBNEEHIENKRFG-GFQQECDTSA-N |
| Molecular Weight | 263.253 g/mol |
| SMILES | CN1C(N2[C@@]3(C=C[C@@](C4C3C4C(=O)OC)(N2C1=O)[H])[H])=O |
| SPLASH | splash10-0006-9200000000-4546d67fa3860f72768b |
| Source of Spectrum | K-120-2077-0 |
| Wiley ID | 1266725 |