| SpectraBase Compound ID | 4b0324qMJc8 |
|---|---|
| InChI | InChI=1S/C18H15ClN4O2/c1-12-13(2)23(22-20-12)21-17(14-8-10-16(19)11-9-14)25-18(24)15-6-4-3-5-7-15/h3-11H,1-2H3/b21-17- |
| InChIKey | LWYJRQGSBBQARY-FXBPSFAMSA-N |
| Mol Weight | 354.8 g/mol |
| Molecular Formula | C18H15ClN4O2 |
| Exact Mass | 354.088353 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4FC3wN34ahp |
|---|---|
| Name | 1H-1,2,3-Triazole, benzoic acid deriv. |
| CAS Registry Number | 69412-29-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H15ClN4O2 |
| InChI | InChI=1S/C18H15ClN4O2/c1-12-13(2)23(22-20-12)21-17(14-8-10-16(19)11-9-14)25-18(24)15-6-4-3-5-7-15/h3-11H,1-2H3/b21-17- |
| InChIKey | LWYJRQGSBBQARY-FXBPSFAMSA-N |
| Molecular Weight | 354.797 g/mol |
| SMILES | c1(nn[n](c1C)\N=C\(OC(=O)c1ccccc1)c1ccc(cc1)Cl)C |
| SPLASH | splash10-0a4r-0900000000-ff86d7b0c65cd374b140 |
| Source of Spectrum | Y-15-1257-3 |
| Synonyms | Benzoic acid, anhydride with 4-chloro-N-(4,5-dimethyl-1H-1,2,3-triazol-1-yl)benzenecarboximidic acid, (Z)- (Z)-(4-chlorophenyl)[(4,5-dimethyl-1H-1,2,3-triazol-1-yl)imino]methyl benzoate 1-(.alpha.-benzoyloxychlorophenylmethenamino)-4,5-dimethyl-1,2,3-triazole benzoic acid[(Z)-(4-chlorophenyl)-[(4,5-dimethyl-1-triazolyl)imino]methyl]ester benzoic acid[(Z)-C-(4-chlorophenyl)-N-(4,5-dimethyltriazol-1-yl)carbonimidoyl]ester [(Z)-C-(4-chlorophenyl)-N-(4,5-dimethyl-1,2,3-triazol-1-yl)carbonimidoyl]benzoate [(Z)-C-(4-chlorophenyl)-N-(4,5-dimethyltriazol-1-yl)carbonimidoyl]benzoate benzoic acid [(Z)-(4-chlorophenyl)-[(4,5-dimethyl-1-triazolyl)imino]methyl] ester [(Z)-C-(4-chlorophenyl)-N-(4,5-dimethyltriazol-1-yl)carbonimidoyl] benzoate [(Z)-C-(4-chlorophenyl)-N-(4,5-dimethyl-1,2,3-triazol-1-yl)carbonimidoyl] benzoate |
| Wiley ID | 1344416 |