| SpectraBase Compound ID | BuLpQOtRuJH |
|---|---|
| InChI | InChI=1S/C18H20N4O3S/c1-4-25-18(24)16-19-21(14-9-6-5-7-10-14)17(15-11-8-12-26-15)22(13(2)23)20(16)3/h5-12,17H,4H2,1-3H3 |
| InChIKey | GFQJHLULOXCJBO-UHFFFAOYSA-N |
| Mol Weight | 372.44 g/mol |
| Molecular Formula | C18H20N4O3S |
| Exact Mass | 372.125612 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IRiwZUJTOfU |
|---|---|
| Name | Ethyl 1-acetyl-2-methyl-5-phenyl-6-(2-thienyl)-1,2,5,6-tetrahydro-1,2,4,5-tetraazine-3-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H20N4O3S |
| InChI | InChI=1S/C18H20N4O3S/c1-4-25-18(24)16-19-21(14-9-6-5-7-10-14)17(15-11-8-12-26-15)22(13(2)23)20(16)3/h5-12,17H,4H2,1-3H3 |
| InChIKey | GFQJHLULOXCJBO-UHFFFAOYSA-N |
| Molecular Weight | 372.443 g/mol |
| SMILES | c1ccc(N2C(N(N(C(=N2)C(=O)OCC)C)C(=O)C)c2sccc2)cc1 |
| SPLASH | splash10-0006-9101000000-15dda7e326c85540c01c |
| Source of Spectrum | AD-0-2532-0 |
| Synonyms | 1,2,4,5-Tetrazine-3-carboxylic acid, 1,2,5,6-tetrahydro-1-acetyl-2-methyl-5-phenyl-6-(2-thienyl)-, ethyl ester 2-Acetyl-1-methyl-4-phenyl-3-(2-thienyl)-3H-1,2,4,5-tetrazine-6-carboxylic acid ethyl ester 2-Acetyl-1-methyl-4-phenyl-3-thiophen-2-yl-3H-1,2,4,5-tetrazine-6-carboxylic acid ethyl ester Ethyl 2-acetyl-1-methyl-4-phenyl-3-(2-thienyl)-3H-1,2,4,5-tetrazine-6-carboxylate Ethyl 2-acetyl-1-methyl-4-phenyl-3-thiophen-2-yl-3H-1,2,4,5-tetrazine-6-carboxylate Ethyl 2-ethanoyl-1-methyl-4-phenyl-3-thiophen-2-yl-3H-1,2,4,5-tetrazine-6-carboxylate |
| Wiley ID | 1419750 |