| SpectraBase Compound ID | A4QpCJ1B3M7 |
|---|---|
| InChI | InChI=1S/C12H16N2S/c1-2-13-12(15)14-8-7-10-5-3-4-6-11(10)9-14/h3-6H,2,7-9H2,1H3,(H,13,15) |
| InChIKey | SQZXXXUYDGHSLW-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 | Dhx6t3NKzCi |
|---|---|
| Name | N-Ethyl-3,4-dihydro-2(1H)-isoquinolinecarbothioamide |
| 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/c1-2-13-12(15)14-8-7-10-5-3-4-6-11(10)9-14/h3-6H,2,7-9H2,1H3,(H,13,15) |
| InChIKey | SQZXXXUYDGHSLW-UHFFFAOYSA-N |
| Molecular Weight | 220.334 g/mol |
| SMILES | N(C(N1CC=2C=CC=CC2CC1)=S)CC |