| SpectraBase Compound ID | 47gABJ5WbVU |
|---|---|
| InChI | InChI=1S/C9H5NO4S/c11-9-14-8(5-15-9)6-1-3-7(4-2-6)10(12)13/h1-5H |
| InChIKey | KHFNFJPFGPWMFG-UHFFFAOYSA-N |
| Mol Weight | 223.2 g/mol |
| Molecular Formula | C9H5NO4S |
| Exact Mass | 222.993929 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BjjA1QNYlKp |
|---|---|
| Name | Thioxol-2-one, 4-(4-nitrophenyl)- |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H5NO4S |
| InChI | InChI=1S/C9H5NO4S/c11-9-14-8(5-15-9)6-1-3-7(4-2-6)10(12)13/h1-5H |
| InChIKey | KHFNFJPFGPWMFG-UHFFFAOYSA-N |
| Molecular Weight | 223.202 g/mol |
| SMILES | c1c(ccc(c1)N(=O)=O)C1=CSC(O1)=O |
| SPLASH | splash10-0udi-9610000000-20e9879eacbf0c96e06a |
| Source of Spectrum | AD-0-2532-0 |
| Synonyms | 5-(4-Nitrophenyl)-1,3-oxathiol-2-one |
| Wiley ID | 1430152 |