| SpectraBase Compound ID | 9P5IKVHoKmV |
|---|---|
| InChI | InChI=1S/C9H7IN2S/c1-13-8-5-6-3-2-4-7(10)9(6)12-11-8/h2-5H,1H3 |
| InChIKey | DMGHDIXFMIFVRA-UHFFFAOYSA-N |
| Mol Weight | 302.13 g/mol |
| Molecular Formula | C9H7IN2S |
| Exact Mass | 301.937464 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AMbEfg4JpTv |
|---|---|
| Name | 8-Iodo-3-(methylthio)cinnoline |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H7IN2S |
| InChI | InChI=1S/C9H7IN2S/c1-13-8-5-6-3-2-4-7(10)9(6)12-11-8/h2-5H,1H3 |
| InChIKey | DMGHDIXFMIFVRA-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1021/ol5001999 |
| Molecular Weight | 302.133 g/mol |
| SMILES | c1cc(c2nnc(cc2c1)SC)I |
| SPLASH | splash10-0udi-0329000000-2aa882b8e15a398b28cd |
| Source of Spectrum | A1-16-1232/SM27-8f |
| Wiley ID | 1749239 |