![1-[8-(4,5-dicarbomethoxytriazol-1-yl)-1-naphthyl]triazole-4,5-dicarboxylic acid dimethyl ester](/api/spectrum/9elvkhQ0AQc/structure.png?h=300&w=458 "1-[8-(4,5-dicarbomethoxytriazol-1-yl)-1-naphthyl]triazole-4,5-dicarboxylic acid dimethyl ester")
| SpectraBase Compound ID | 1fndodATlKQ |
|---|---|
| InChI | InChI=1S/C22H18N6O8/c1-33-19(29)15-17(21(31)35-3)27(25-23-15)12-9-5-7-11-8-6-10-13(14(11)12)28-18(22(32)36-4)16(24-26-28)20(30)34-2/h5-10H,1-4H3 |
| InChIKey | KSQOVAMNNVXTGP-UHFFFAOYSA-N |
| Mol Weight | 494.42 g/mol |
| Molecular Formula | C22H18N6O8 |
| Exact Mass | 494.118612 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9elvkhQ0AQc |
|---|---|
| Name | 1-[8-(4,5-dicarbomethoxytriazol-1-yl)-1-naphthyl]triazole-4,5-dicarboxylic acid dimethyl ester |
| Alternate Name(s) | 1-[8-[4,5-bis(methoxycarbonyl)-1-triazolyl]-1-naphthalenyl]triazole-4,5-dicarboxylic acid dimethyl ester Dimethyl 1-[8-[4,5-bis(methoxycarbonyl)-1,2,3-triazol-1-yl]naphthalen-1-yl]-1,2,3-triazole-4,5-dicarboxylate Dimethyl 1-[8-[4,5-bis(methoxycarbonyl)triazol-1-yl]-1-naphthyl]triazole-4,5-dicarboxylate Dimethyl 1-[8-[4,5-bis(methoxycarbonyl)triazol-1-yl]naphthalen-1-yl]triazole-4,5-dicarboxylate Tetramethyl 1,1'-(1,8-naphthylene)bis(1,2,3-triazole-4,5-dicarboxylate) |
| CAS Registry Number | 91165-61-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H18N6O8 |
| InChI | InChI=1S/C22H18N6O8/c1-33-19(29)15-17(21(31)35-3)27(25-23-15)12-9-5-7-11-8-6-10-13(14(11)12)28-18(22(32)36-4)16(24-26-28)20(30)34-2/h5-10H,1-4H3 |
| InChIKey | KSQOVAMNNVXTGP-UHFFFAOYSA-N |
| Molecular Weight | 494.420 g/mol |
| SMILES | COC(c1c(C(=O)OC)[n](-c2cccc3cccc(c23)-[n]2c(c(C(=O)OC)nn2)C(=O)OC)nn1)=O |
| SPLASH | splash10-0gb9-6907500000-3539c1465ac38dae9eb7 |
| Source of Spectrum | AJ-60-2932-1 |
| Wiley ID | 1397825 |