| SpectraBase Compound ID | AzEULsQ4eK |
|---|---|
| InChI | InChI=1S/C12H16N2S/c1-10-4-6-11(7-5-10)13-12(15)14-8-2-3-9-14/h4-7H,2-3,8-9H2,1H3,(H,13,15) |
| InChIKey | KCSNYJBZSAYVIN-UHFFFAOYSA-N |
| Mol Weight | 220.33 g/mol |
| Molecular Formula | C12H16N2S |
| Exact Mass | 220.10342 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8FWsZ3hCZut |
|---|---|
| Name | N-(4-Methylphenyl)-1-pyrrolidinecarbothioamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.103419697 u |
| Formula | C12H16N2S |
| InChI | InChI=1S/C12H16N2S/c1-10-4-6-11(7-5-10)13-12(15)14-8-2-3-9-14/h4-7H,2-3,8-9H2,1H3,(H,13,15) |
| InChIKey | KCSNYJBZSAYVIN-UHFFFAOYSA-N |
| Molecular Weight | 220.334 g/mol |
| SMILES | N(C(=S)N1CCCC1)C=1C=CC(=CC1)C |