| SpectraBase Compound ID | E57qRAgNQHn |
|---|---|
| InChI | InChI=1S/C3H2N2O2S/c6-5(7)3-1-4-8-2-3/h1-2H |
| InChIKey | FNXPAYVHLSTHQY-UHFFFAOYSA-N |
| Mol Weight | 130.12 g/mol |
| Molecular Formula | C3H2N2O2S |
| Exact Mass | 129.983698 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | kHBh3nMIST |
|---|---|
| Name | Isothiazole, 4-nitro- |
| Alternate Name(s) | 4-Nitro-1,2-thiazole BRN 0907283 |
| CAS Registry Number | 931-07-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C3H2N2O2S |
| InChI | InChI=1S/C3H2N2O2S/c6-5(7)3-1-4-8-2-3/h1-2H |
| InChIKey | FNXPAYVHLSTHQY-UHFFFAOYSA-N |
| Molecular Weight | 130.121 g/mol |
| SMILES | c1c(csn1)N(=O)=O |
| SPLASH | splash10-053r-9300000000-42705b54e589cf45a0ba |
| Source of Spectrum | DK-268-13-7 |
| Wiley ID | 1132286 |