| SpectraBase Compound ID | I5tjJMlBcFo |
|---|---|
| InChI | InChI=1S/C16H16N4O6/c1-2-3-4-11-5-7-12(8-6-11)17-16-14(19(23)24)9-13(18(21)22)10-15(16)20(25)26/h5-10,17H,2-4H2,1H3 |
| InChIKey | DUXRNIHIMLJUOR-UHFFFAOYSA-N |
| Mol Weight | 360.33 g/mol |
| Molecular Formula | C16H16N4O6 |
| Exact Mass | 360.106984 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J6swGM45xFY |
|---|---|
| Name | 4'-Butyl-2,4,6-trinitrodiphenylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.106984245 u |
| Formula | C16H16N4O6 |
| InChI | InChI=1S/C16H16N4O6/c1-2-3-4-11-5-7-12(8-6-11)17-16-14(19(23)24)9-13(18(21)22)10-15(16)20(25)26/h5-10,17H,2-4H2,1H3 |
| InChIKey | DUXRNIHIMLJUOR-UHFFFAOYSA-N |
| Molecular Weight | 360.326 g/mol |
| SMILES | N(C=1C=CC(=CC1)CCCC)C=1C(=CC(=CC1N(=O)=O)N(=O)=O)N(=O)=O |