| SpectraBase Compound ID | DHfA2YYadQZ |
|---|---|
| InChI | InChI=1S/C19H22N2S/c1-13-7-4-8-14(2)17(13)20-19(22)21-12-6-11-16-10-5-9-15(3)18(16)21/h4-5,7-10H,6,11-12H2,1-3H3,(H,20,22) |
| InChIKey | GGPMREFNSQSRPN-UHFFFAOYSA-N |
| Mol Weight | 310.46 g/mol |
| Molecular Formula | C19H22N2S |
| Exact Mass | 310.15037 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5CGdO8WsgrH |
|---|---|
| Name | 3,4-Dihydro-8-methylthio-1(2H)-quinolinecarboxy-2',6'-xylidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.150369890 u |
| Formula | C19H22N2S |
| InChI | InChI=1S/C19H22N2S/c1-13-7-4-8-14(2)17(13)20-19(22)21-12-6-11-16-10-5-9-15(3)18(16)21/h4-5,7-10H,6,11-12H2,1-3H3,(H,20,22) |
| InChIKey | GGPMREFNSQSRPN-UHFFFAOYSA-N |
| SMILES | N(C(N1C=2C(=CC=CC2CCC1)C)=S)C=1C(=CC=CC1C)C |