![3-[(2,4-dinitrophenyl)thio]-4H-1,2,4-triazole](/api/spectrum/KvmxSAx1Ysi/structure.png?h=300&w=458 "3-[(2,4-dinitrophenyl)thio]-4H-1,2,4-triazole")
| SpectraBase Compound ID | Hag8ps2ofk0 |
|---|---|
| InChI | InChI=1S/C8H5N5O4S/c14-12(15)5-1-2-7(6(3-5)13(16)17)18-8-9-4-10-11-8/h1-4H,(H,9,10,11) |
| InChIKey | DKWSAVGWRKSTQR-UHFFFAOYSA-N |
| Mol Weight | 267.22 g/mol |
| Molecular Formula | C8H5N5O4S |
| Exact Mass | 267.006225 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KvmxSAx1Ysi |
|---|---|
| Name | 3-[(2,4-Dinitrophenyl)thio]-4H-1,2,4-triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.006224831 u |
| Formula | C8H5N5O4S |
| InChI | InChI=1S/C8H5N5O4S/c14-12(15)5-1-2-7(6(3-5)13(16)17)18-8-9-4-10-11-8/h1-4H,(H,9,10,11) |
| InChIKey | DKWSAVGWRKSTQR-UHFFFAOYSA-N |
| Molecular Weight | 267.219 g/mol |
| SMILES | N1C(SC=2C(=CC(=CC2)N(=O)=O)N(=O)=O)=NN=C1 |