| SpectraBase Compound ID | 5paJQlvKMqZ |
|---|---|
| InChI | InChI=1S/C19H16FN3O3/c1-26-19(25)17-21-23(15-8-6-14(20)7-9-15)18(24)16-10-12-4-2-3-5-13(12)11-22(16)17/h2-9,16H,10-11H2,1H3 |
| InChIKey | IRYKAGMLLXCZCH-UHFFFAOYSA-N |
| Mol Weight | 353.35 g/mol |
| Molecular Formula | C19H16FN3O3 |
| Exact Mass | 353.11757 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | C3WEIYnFMRr |
|---|---|
| Name | 2-(4-Fluorophenyl)-1-oxo-1,9,9a,10-tetrahydro-2H-2,3,4a-triazaanthracene-4-carboxylic acid, methyl ester |
| CAS Registry Number | 139456-33-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H16FN3O3 |
| InChI | InChI=1S/C19H16FN3O3/c1-26-19(25)17-21-23(15-8-6-14(20)7-9-15)18(24)16-10-12-4-2-3-5-13(12)11-22(16)17/h2-9,16H,10-11H2,1H3 |
| InChIKey | IRYKAGMLLXCZCH-UHFFFAOYSA-N |
| Molecular Weight | 353.353 g/mol |
| SMILES | c1(F)ccc(N2N=C(N3Cc4ccccc4CC3C2=O)C(=O)OC)cc1 |
| SPLASH | splash10-0udi-3911000000-ad942d66c1258ac06c72 |
| Synonyms | 2-(4-fluorophenyl)-1-keto-11,11a-dihydro-6H-[1,2,4]triazin[4,5-b]isoquinoline-4-carboxylic acid methyl ester 2-(4-fluorophenyl)-1-oxo-11,11a-dihydro-6H-[1,2,4]triazino[4,5-b]isoquinoline-4-carboxylic acid methyl ester Methyl 2-(4-fluorophenyl)-1-oxidanylidene-11,11a-dihydro-6H-[1,2,4]triazino[4,5-b]isoquinoline-4-carboxylate Methyl 2-(4-fluorophenyl)-1-oxo-1,6,11,11a-tetrahydro-2H-[1,2,4]triazino[4,5-b]isoquinoline-4-carboxylate Methyl 2-(4-fluorophenyl)-1-oxo-11,11a-dihydro-6H-[1,2,4]triazino[4,5-b]isoquinoline-4-carboxylate |
| Wiley ID | 1475271 |