| SpectraBase Compound ID | 5DiS4qPnDoQ |
|---|---|
| InChI | InChI=1S/C18H20N2O2S/c21-23(22,19-11-9-15-5-1-3-7-17(15)13-19)20-12-10-16-6-2-4-8-18(16)14-20/h1-8H,9-14H2 |
| InChIKey | UCMGZOZLZXUXNO-UHFFFAOYSA-N |
| Mol Weight | 328.43 g/mol |
| Molecular Formula | C18H20N2O2S |
| Exact Mass | 328.124549 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6pMJe6K27Zd |
|---|---|
| Name | Isoquinoline, 2,2'-sulfonylbis[1,2,3,4-tetrahydro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.124549064 u |
| Formula | C18H20N2O2S |
| InChI | InChI=1S/C18H20N2O2S/c21-23(22,19-11-9-15-5-1-3-7-17(15)13-19)20-12-10-16-6-2-4-8-18(16)14-20/h1-8H,9-14H2 |
| InChIKey | UCMGZOZLZXUXNO-UHFFFAOYSA-N |
| Molecular Weight | 328.430 g/mol |
| SMILES | C1N(S(N2CC=3C=CC=CC3CC2)(=O)=O)CCC=2C=CC=CC12 |