| SpectraBase Compound ID | LbSupEh26TW |
|---|---|
| InChI | InChI=1S/C7H4ClN3O6/c8-3-5-6(10(14)15)1-4(9(12)13)2-7(5)11(16)17/h1-2H,3H2 |
| InChIKey | PUJXVDWGOSEZMH-UHFFFAOYSA-N |
| Mol Weight | 261.58 g/mol |
| Molecular Formula | C7H4ClN3O6 |
| Exact Mass | 260.978863 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ccbzr1Bsl0V |
|---|---|
| Name | 2-(chloromethyl)-1,3,5-trinitro-benzene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H4ClN3O6 |
| InChI | InChI=1S/C7H4ClN3O6/c8-3-5-6(10(14)15)1-4(9(12)13)2-7(5)11(16)17/h1-2H,3H2 |
| InChIKey | PUJXVDWGOSEZMH-UHFFFAOYSA-N |
| Molecular Weight | 261.577 g/mol |
| SMILES | c1(c(N(=O)=O)cc(N(=O)=O)cc1N(=O)=O)CCl |
| SPLASH | splash10-01b9-7910000000-5adc8500783b13e96f0a |
| Source of Spectrum | O-26-871-0 |
| Wiley ID | 1264448 |