![Pyrrolidine, 1-[2-(4-chlorophenyl)-1-thioxoethyl]-](/api/spectrum/AWhGdmNQjf9/structure.png?h=300&w=458 "Pyrrolidine, 1-[2-(4-chlorophenyl)-1-thioxoethyl]-")
| SpectraBase Compound ID | 41QQIZlqrsO |
|---|---|
| InChI | InChI=1S/C12H14ClNS/c13-11-5-3-10(4-6-11)9-12(15)14-7-1-2-8-14/h3-6H,1-2,7-9H2 |
| InChIKey | VSNPRMUWLHFBSR-UHFFFAOYSA-N |
| Mol Weight | 239.76 g/mol |
| Molecular Formula | C12H14ClNS |
| Exact Mass | 239.053548 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AWhGdmNQjf9 |
|---|---|
| Name | Pyrrolidine, 1-[2-(4-chlorophenyl)-1-thioxoethyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.053548329 u |
| Formula | C12H14ClNS |
| InChI | InChI=1S/C12H14ClNS/c13-11-5-3-10(4-6-11)9-12(15)14-7-1-2-8-14/h3-6H,1-2,7-9H2 |
| InChIKey | VSNPRMUWLHFBSR-UHFFFAOYSA-N |
| Molecular Weight | 239.764 g/mol |
| SMILES | C1(=CC=C(C=C1)Cl)CC(N1CCCC1)=S |