| SpectraBase Compound ID | 56Xq00tD8DV |
|---|---|
| InChI | InChI=1S/C11H12N2O2S/c14-13(15)10-5-3-4-9(8-10)11(16)12-6-1-2-7-12/h3-5,8H,1-2,6-7H2 |
| InChIKey | VVIAEZJEBZIPIK-UHFFFAOYSA-N |
| Mol Weight | 236.29 g/mol |
| Molecular Formula | C11H12N2O2S |
| Exact Mass | 236.061949 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3pk3kO2FQeO |
|---|---|
| Name | N-(3-Nitro-thiobenzoyl)-pyrrolidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.061948806 u |
| Formula | C11H12N2O2S |
| InChI | InChI=1S/C11H12N2O2S/c14-13(15)10-5-3-4-9(8-10)11(16)12-6-1-2-7-12/h3-5,8H,1-2,6-7H2 |
| InChIKey | VVIAEZJEBZIPIK-UHFFFAOYSA-N |
| Molecular Weight | 236.289 g/mol |
| SMILES | C1CCCN1C(C1=CC(=CC=C1)N(=O)=O)=S |