![3-Methyl-5-nitro-benzo[d]isothiazole](/api/spectrum/8Ptjf8aKQ5H/structure.png?h=300&w=458 "3-Methyl-5-nitro-benzo[d]isothiazole")
| SpectraBase Compound ID | EFn0rmsPbML |
|---|---|
| InChI | InChI=1S/C8H6N2O2S/c1-5-7-4-6(10(11)12)2-3-8(7)13-9-5/h2-4H,1H3 |
| InChIKey | UUOMNUMWKBVHNG-UHFFFAOYSA-N |
| Mol Weight | 194.21 g/mol |
| Molecular Formula | C8H6N2O2S |
| Exact Mass | 194.014999 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8Ptjf8aKQ5H |
|---|---|
| Name | 3-Methyl-5-nitro-benzo[d]isothiazole |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H6N2O2S |
| InChI | InChI=1S/C8H6N2O2S/c1-5-7-4-6(10(11)12)2-3-8(7)13-9-5/h2-4H,1H3 |
| InChIKey | UUOMNUMWKBVHNG-UHFFFAOYSA-N |
| Molecular Weight | 194.208 g/mol |
| SMILES | c1(N(=O)=O)cc2c(nsc2cc1)C |
| SPLASH | splash10-03di-6900000000-355d4850b00379d32adf |
| Source of Spectrum | F-66-2482-11 |
| Wiley ID | 1712765 |