| SpectraBase Compound ID | LbjcBgwaZQh |
|---|---|
| InChI | InChI=1S/C7H4I3NO2/c1-3-4(8)2-5(9)6(10)7(3)11(12)13/h2H,1H3 |
| InChIKey | MHNHVWDUMNDBOV-UHFFFAOYSA-N |
| Mol Weight | 514.83 g/mol |
| Molecular Formula | C7H4I3NO2 |
| Exact Mass | 514.737613 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AOxN48NchwC |
|---|---|
| Name | Triiodo-2-nitrotoluene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H4I3NO2 |
| InChI | InChI=1S/C7H4I3NO2/c1-3-4(8)2-5(9)6(10)7(3)11(12)13/h2H,1H3 |
| InChIKey | MHNHVWDUMNDBOV-UHFFFAOYSA-N |
| Molecular Weight | 514.827 g/mol |
| SMILES | c1(N(=O)=O)c(c(I)cc(c1C)I)I |
| SPLASH | splash10-014i-5294480000-1046fefd3b3dc5622641 |
| Source of Spectrum | O1-45-1350-e |
| Wiley ID | 1669053 |