| SpectraBase Compound ID | KqJA2ireOoD |
|---|---|
| InChI | InChI=1S/C9H7NS/c1-2-4-8(5-3-1)9-6-7-11-10-9/h1-7H/i7D |
| InChIKey | QTRJTMPLVIRDHO-WHRKIXHSSA-N |
| Mol Weight | 162.23 g/mol |
| Molecular Formula | C9H6DNS |
| Exact Mass | 162.036197 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ANegm0ZVpJW |
|---|---|
| Name | 5-Deuterio-3-phenylisothiazole |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H6DNS |
| InChI | InChI=1S/C9H7NS/c1-2-4-8(5-3-1)9-6-7-11-10-9/h1-7H/i7D |
| InChIKey | QTRJTMPLVIRDHO-WHRKIXHSSA-N |
| Molecular Weight | 162.228 g/mol |
| SMILES | c1(nsc(c1)[D])-c1ccccc1 |
| SPLASH | splash10-03di-0900000000-a2f6a5fcdafb733e2b98 |
| Source of Spectrum | C-116-2300-5 |
| Wiley ID | 1157729 |