| SpectraBase Compound ID | KOFcnb4kY1E |
|---|---|
| InChI | InChI=1S/C7H8O3S.C4H9N3O2/c1-6-2-4-7(5-3-6)11(8,9)10;5-1-4(9)7-2-3(6)8/h2-5H,1H3,(H,8,9,10);1-2,5H2,(H2,6,8)(H,7,9) |
| InChIKey | UNPDQWSTGLYQMO-UHFFFAOYSA-N |
| Mol Weight | 303.33 g/mol |
| Molecular Formula | C11H17N3O5S |
| Exact Mass | 303.088892 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1rKdwdr8pwt |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C11H17N3O5S |
| InChI | InChI=1S/C7H8O3S.C4H9N3O2/c1-6-2-4-7(5-3-6)11(8,9)10;5-1-4(9)7-2-3(6)8/h2-5H,1H3,(H,8,9,10);1-2,5H2,(H2,6,8)(H,7,9) |
| InChIKey | UNPDQWSTGLYQMO-UHFFFAOYSA-N |
| Molecular Weight | 303.0885 |
| SMILES | OS(c1ccc(C)cc1)(=O)=O.N(C(CN)=O)CC(=O)N |
| SPLASH | splash10-0596-9400000000-4ebeeaecde33e12fe5c2 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |