| SpectraBase Spectrum ID |
1sP96sR2b86 |
| Name |
1,2,4,5-Tetrazine-3-carboxylic acid, 1,2,5,6-tetrahydro-1-acetyl-5-(4-chlorophenyl)-2-methyl-6-(4-methylphenyl)-, ethyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H23ClN4O3 |
| InChI |
InChI=1S/C21H23ClN4O3/c1-5-29-21(28)19-23-25(18-12-10-17(22)11-13-18)20(26(15(3)27)24(19)4)16-8-6-14(2)7-9-16/h6-13,20H,5H2,1-4H3 |
| InChIKey |
ADAGQZFKWSSCLU-UHFFFAOYSA-N |
| Molecular Weight |
414.893 g/mol |
| SMILES |
CCOC(C=1N(N(C(N(N1)c1ccc(cc1)Cl)c1ccc(cc1)C)C(=O)C)C)=O |
| SPLASH |
splash10-01ox-8940100000-63039c480608d35cb22d |
| Source of Spectrum |
AD-0-2532-0 |
| Synonyms |
2-Acetyl-4-(4-chlorophenyl)-1-methyl-3-(4-methylphenyl)-3H-1,2,4,5-tetrazine-6-carboxylic acid ethyl ester
2-Acetyl-4-(4-chlorophenyl)-1-methyl-3-(p-tolyl)-3H-1,2,4,5-tetrazine-6-carboxylic acid ethyl ester
Ethyl 1-acetyl-5-(4-chlorophenyl)-2-methyl-6-(4-methylphenyl)-1,2,5,6-tetrahydro-1,2,4,5-tetraazine-3-carboxylate
Ethyl 2-acetyl-4-(4-chlorophenyl)-1-methyl-3-(4-methylphenyl)-3H-1,2,4,5-tetrazine-6-carboxylate
Ethyl 2-acetyl-4-(4-chlorophenyl)-1-methyl-3-(p-tolyl)-3H-1,2,4,5-tetrazine-6-carboxylate
Ethyl 4-(4-chlorophenyl)-2-ethanoyl-1-methyl-3-(4-methylphenyl)-3H-1,2,4,5-tetrazine-6-carboxylate |
| Wiley ID |
1419348 |
