| SpectraBase Compound ID | BQvMdG3Ce6T |
|---|---|
| InChI | InChI=1S/C10H11NO3S/c1-7(2)10(12)15-9-5-3-8(4-6-9)11(13)14/h3-7H,1-2H3 |
| InChIKey | YCXHKQPHKQBMSW-UHFFFAOYSA-N |
| Mol Weight | 225.26 g/mol |
| Molecular Formula | C10H11NO3S |
| Exact Mass | 225.045964 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 69iJm723QL3 |
|---|---|
| Name | 4-Nitrothiophenol, S-(2-methylpropionyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.045964389 u |
| Formula | C10H11NO3S |
| InChI | InChI=1S/C10H11NO3S/c1-7(2)10(12)15-9-5-3-8(4-6-9)11(13)14/h3-7H,1-2H3 |
| InChIKey | YCXHKQPHKQBMSW-UHFFFAOYSA-N |
| Molecular Weight | 225.262 g/mol |
| SMILES | C1(SC(C(C)C)=O)=CC=C(C=C1)N(=O)=O |