| SpectraBase Compound ID | 9ZJb87XXuAc |
|---|---|
| InChI | InChI=1S/C8H5NO6S/c10-7(11)3-2-6(16)4(8(12)13)1-5(3)9(14)15/h1-2,16H,(H,10,11)(H,12,13) |
| InChIKey | WTGOGMIMKRBMLM-UHFFFAOYSA-N |
| Mol Weight | 243.19 g/mol |
| Molecular Formula | C8H5NO6S |
| Exact Mass | 242.983758 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4i05NJ5VtXR |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H5NO6S |
| InChI | InChI=1S/C8H5NO6S/c10-7(11)3-2-6(16)4(8(12)13)1-5(3)9(14)15/h1-2,16H,(H,10,11)(H,12,13) |
| InChIKey | WTGOGMIMKRBMLM-UHFFFAOYSA-N |
| Molecular Weight | 242.9836 |
| SMILES | OC(c1c(cc(c(S)c1)C(O)=O)N(=O)=O)=O |
| SPLASH | splash10-004i-9550000000-d2560d75e6ea058d5412 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |