| SpectraBase Compound ID | CQlWZWqYJ5f |
|---|---|
| InChI | InChI=1S/C4H3BrN2S/c5-4-1-3(2-6)8-7-4/h3H,1H2 |
| InChIKey | CXFSADJNNZNNLL-UHFFFAOYSA-N |
| Mol Weight | 191.05 g/mol |
| Molecular Formula | C4H3BrN2S |
| Exact Mass | 189.920032 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5s0iiInepUA |
|---|---|
| Name | 3-Bromoisothiazole-5-carbonitrile |
| Alternate Name(s) | 3-Bromo-4,5-dihydroisothiazole-5-carbonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C4H3BrN2S |
| InChI | InChI=1S/C4H3BrN2S/c5-4-1-3(2-6)8-7-4/h3H,1H2 |
| InChIKey | CXFSADJNNZNNLL-UHFFFAOYSA-N |
| Molecular Weight | 191.046 g/mol |
| SMILES | C1(CC(=NS1)Br)C#N |
| SPLASH | splash10-053l-6900000000-d2d54756744e809f156e |
| Source of Spectrum | RSA-4-7744-24b |
| Wiley ID | 1747910 |