![4,5',4"-Trimethyl-2,2"-dinitro-1-[1,1'.3',1"-terphenyl]-3,4',3"-triol](/api/spectrum/5XPpdxiW43e/structure.png?h=300&w=458 "4,5',4\"-Trimethyl-2,2\"-dinitro-1-[1,1'.3',1\"-terphenyl]-3,4',3\"-triol")
| SpectraBase Compound ID | AehrmlzK0V |
|---|---|
| InChI | InChI=1S/C21H18N2O7/c1-10-4-13(14-5-11(2)20(25)17(8-14)22(27)28)7-16(19(10)24)15-6-12(3)21(26)18(9-15)23(29)30/h4-9,24-26H,1-3H3 |
| InChIKey | CVPYZAFVRXJGFJ-UHFFFAOYSA-N |
| Mol Weight | 410.38 g/mol |
| Molecular Formula | C21H18N2O7 |
| Exact Mass | 410.111401 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5XPpdxiW43e |
|---|---|
| Name | 4,5',4"-Trimethyl-2,2"-dinitro-1-[1,1'.3',1"-terphenyl]-3,4',3"-triol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H18N2O7 |
| InChI | InChI=1S/C21H18N2O7/c1-10-4-13(14-5-11(2)20(25)17(8-14)22(27)28)7-16(19(10)24)15-6-12(3)21(26)18(9-15)23(29)30/h4-9,24-26H,1-3H3 |
| InChIKey | CVPYZAFVRXJGFJ-UHFFFAOYSA-N |
| Molecular Weight | 410.382 g/mol |
| SMILES | Oc1c(cc(-c2cc(c(c(c2)C)O)-c2cc(N(=O)=O)c(c(c2)C)O)cc1C)N(=O)=O |
| SPLASH | splash10-0bta-0901100000-d7f9c779214a3e1a2b89 |
| Source of Spectrum | Y1-32-271-3 |
| Synonyms | 2,4-bis(3-hydroxy-4-methyl-2-nitrophenyl)-6-methylphenol 3,5',5''-Trimethyl-5,3''-dinitro-[1,1';3',1'']terphenyl-4,4',4''-triol 4,5',4''-Trimethyl-2''-dinitro-1-[1,1'.3''-terphenyl]-3,4',3''-triol 4,5',4''-Trimethyl-2,2''-dinitro-[1,1',3',1''-terphenyl]-3,4',3''-triol 4,5',4''-Trimethyl-2''-dinitro-1-[1,1'.3''-terphenyl]-3,4',3''-triol |
| Wiley ID | 1525951 |