| SpectraBase Compound ID | 1m4rOW5SrZR |
|---|---|
| InChI | InChI=1S/C3H3NS/c1-2-4-5-3-1/h1-3H/i1D,3D |
| InChIKey | ZLTPDFXIESTBQG-SDTNDFKLSA-N |
| Mol Weight | 87.14 g/mol |
| Molecular Formula | C3HD2NS |
| Exact Mass | 87.011174 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LZjrMPfUuek |
|---|---|
| Name | Isothiazole-4,5-D2 |
| CAS Registry Number | 33718-58-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C3HD2NS |
| InChI | InChI=1S/C3H3NS/c1-2-4-5-3-1/h1-3H/i1D,3D |
| InChIKey | ZLTPDFXIESTBQG-SDTNDFKLSA-N |
| Molecular Weight | 87.136 g/mol |
| SMILES | c1(sncc1[D])[D] |
| SPLASH | splash10-01p9-9000000000-978b53bfe639d55663e4 |
| Source of Spectrum | DK-268-13-1 |
| Synonyms | 4,5-Dideutero isothiazole |
| Wiley ID | 1116143 |