| SpectraBase Compound ID | 1OMi7FTv0jZ |
|---|---|
| InChI | InChI=1S/C19H20N2OS/c1-3-4-13-23-19-20-16-11-7-6-10-15(16)18(22)21(19)17-12-8-5-9-14(17)2/h5-12H,3-4,13H2,1-2H3 |
| InChIKey | QLRZVWARUSAHQG-UHFFFAOYSA-N |
| Mol Weight | 324.44 g/mol |
| Molecular Formula | C19H20N2OS |
| Exact Mass | 324.129634 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1tpNSIXMgDy |
|---|---|
| Name | 2-(Butylsulfanyl)-3-(2-methylphenyl)-4(3H)-quinazolinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.129634445 u |
| Formula | C19H20N2OS |
| InChI | InChI=1S/C19H20N2OS/c1-3-4-13-23-19-20-16-11-7-6-10-15(16)18(22)21(19)17-12-8-5-9-14(17)2/h5-12H,3-4,13H2,1-2H3 |
| InChIKey | QLRZVWARUSAHQG-UHFFFAOYSA-N |
| Molecular Weight | 324.442 g/mol |
| SMILES | C=1C=CC(N2C(=NC=3C(C2=O)=CC=CC3)SCCCC)=C(C)C1 |