| SpectraBase Compound ID | 6DiGZCi4nP |
|---|---|
| InChI | InChI=1S/C7H7NO3S/c1-11-12-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3 |
| InChIKey | KPWFXTKCWYSYFX-UHFFFAOYSA-N |
| Mol Weight | 185.2 g/mol |
| Molecular Formula | C7H7NO3S |
| Exact Mass | 185.014664 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1CWPpYtefdH |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H7NO3S |
| InChI | InChI=1S/C7H7NO3S/c1-11-12-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3 |
| InChIKey | KPWFXTKCWYSYFX-UHFFFAOYSA-N |
| Molecular Weight | 185.0145 |
| SMILES | c1(SOC)ccc(N(=O)=O)cc1 |
| SPLASH | splash10-053i-9600000000-568736845dead58d66e0 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |