| SpectraBase Compound ID | 8tvGv9aF7UH |
|---|---|
| InChI | InChI=1S/C10H9NO2S/c12-5-7-6-14-10(11-7)8-3-1-2-4-9(8)13/h1-4,6,12-13H,5H2 |
| InChIKey | BOSGDCHVRSIZSY-UHFFFAOYSA-N |
| Mol Weight | 207.25 g/mol |
| Molecular Formula | C10H9NO2S |
| Exact Mass | 207.0354 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DDniMpX1cfd |
|---|---|
| Name | Aeruginol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.035399706 u |
| Formula | C10H9NO2S |
| InChI | InChI=1S/C10H9NO2S/c12-5-7-6-14-10(11-7)8-3-1-2-4-9(8)13/h1-4,6,12-13H,5H2 |
| InChIKey | BOSGDCHVRSIZSY-UHFFFAOYSA-N |
| Molecular Weight | 207.247 g/mol |
| SMILES | C1(=NC(CO)=CS1)C=1C(O)=CC=CC1 |