| SpectraBase Compound ID | KQlkQlQJelu |
|---|---|
| InChI | InChI=1S/C18H19NOS/c1-14-8-10-16(11-9-14)21-13-18(20)19-12-4-6-15-5-2-3-7-17(15)19/h2-3,5,7-11H,4,6,12-13H2,1H3 |
| InChIKey | BEWFTWFZGAMZHH-UHFFFAOYSA-N |
| Mol Weight | 297.42 g/mol |
| Molecular Formula | C18H19NOS |
| Exact Mass | 297.118735 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FhuEPI6y5MN |
|---|---|
| Name | 2-(3,4-Dihydro-1(2H)-quinolinyl)-2-oxoethyl 4-methylphenyl sulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.118735409 u |
| Formula | C18H19NOS |
| InChI | InChI=1S/C18H19NOS/c1-14-8-10-16(11-9-14)21-13-18(20)19-12-4-6-15-5-2-3-7-17(15)19/h2-3,5,7-11H,4,6,12-13H2,1H3 |
| InChIKey | BEWFTWFZGAMZHH-UHFFFAOYSA-N |
| SMILES | C=1C=CC=2N(C(CSC3=CC=C(C=C3)C)=O)CCCC2C1 |