| SpectraBase Compound ID | DxSPBrh1BCR |
|---|---|
| InChI | InChI=1S/C8H8N2O4/c1-6-2-4-7(5-3-6)8(9(11)12)10(13)14/h2-5,8H,1H3 |
| InChIKey | OCQVADFOKRSIDO-UHFFFAOYSA-N |
| Mol Weight | 196.16 g/mol |
| Molecular Formula | C8H8N2O4 |
| Exact Mass | 196.048407 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DVvmSiiLgNF |
|---|---|
| Name | 1-(dinitromethyl)-4-methyl-benzene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H8N2O4 |
| InChI | InChI=1S/C8H8N2O4/c1-6-2-4-7(5-3-6)8(9(11)12)10(13)14/h2-5,8H,1H3 |
| InChIKey | OCQVADFOKRSIDO-UHFFFAOYSA-N |
| Molecular Weight | 196.162 g/mol |
| SMILES | C(N(=O)=O)(N(=O)=O)c1ccc(cc1)C |
| SPLASH | splash10-00lu-9400000000-67294419fb586ab6bc8c |
| Source of Spectrum | IC-462-0-0 |
| Wiley ID | 1192560 |