| SpectraBase Compound ID | tTLOQrlJfb |
|---|---|
| InChI | InChI=1S/C11H15NO2S/c1-2-8-15-11(9-12(13)14)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3 |
| InChIKey | WUBZFDIMPSJPQD-UHFFFAOYSA-N |
| Mol Weight | 225.31 g/mol |
| Molecular Formula | C11H15NO2S |
| Exact Mass | 225.08235 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H3tPEeegKIx |
|---|---|
| Name | 2-Nitro-1-propylsulfanyl-ethyl-benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.082349899 u |
| Formula | C11H15NO2S |
| InChI | InChI=1S/C11H15NO2S/c1-2-8-15-11(9-12(13)14)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3 |
| InChIKey | WUBZFDIMPSJPQD-UHFFFAOYSA-N |
| Molecular Weight | 225.306 g/mol |
| SMILES | C(N(=O)=O)C(C=1C=CC=CC1)SCCC |