| SpectraBase Compound ID | 2YbYOdZnn32 |
|---|---|
| InChI | InChI=1S/C7H5N3O7/c1-3-4(8(12)13)2-5(9(14)15)7(11)6(3)10(16)17/h2,11H,1H3 |
| InChIKey | YYGJRRYSYLLCQH-UHFFFAOYSA-N |
| Mol Weight | 243.13 g/mol |
| Molecular Formula | C7H5N3O7 |
| Exact Mass | 243.01275 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3eXx97uKpT6 |
|---|---|
| Name | 3-Methyl-2,4,6-trinitrophenol |
| CAS Registry Number | 602-99-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H5N3O7 |
| InChI | InChI=1S/C7H5N3O7/c1-3-4(8(12)13)2-5(9(14)15)7(11)6(3)10(16)17/h2,11H,1H3 |
| InChIKey | YYGJRRYSYLLCQH-UHFFFAOYSA-N |
| Molecular Weight | 243.131 g/mol |
| SMILES | Oc1c(N(=O)=O)cc(c(c1N(=O)=O)C)N(=O)=O |
| SPLASH | splash10-0006-0090000000-fcff5886f9ddad81513e |
| Source of Spectrum | Y-48-213-9 |
| Wiley ID | 1667551 |