| SpectraBase Compound ID | 2NaIFJGJJfo |
|---|---|
| InChI | InChI=1S/C13H10N4O6S/c1-24-10-4-2-8(3-5-10)14-13-11(16(20)21)6-9(15(18)19)7-12(13)17(22)23/h2-7,14H,1H3 |
| InChIKey | MYKVWKVGMUFQHI-UHFFFAOYSA-N |
| Mol Weight | 350.31 g/mol |
| Molecular Formula | C13H10N4O6S |
| Exact Mass | 350.032105 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A87uJWrsLGC |
|---|---|
| Name | 4'-(Methylthio)-2,4,6-trinitrodiphenylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.032105226 u |
| Formula | C13H10N4O6S |
| InChI | InChI=1S/C13H10N4O6S/c1-24-10-4-2-8(3-5-10)14-13-11(16(20)21)6-9(15(18)19)7-12(13)17(22)23/h2-7,14H,1H3 |
| InChIKey | MYKVWKVGMUFQHI-UHFFFAOYSA-N |
| Molecular Weight | 350.305 g/mol |
| SMILES | N(C=1C=CC(=CC1)SC)C=1C(=CC(=CC1N(=O)=O)N(=O)=O)N(=O)=O |