| SpectraBase Compound ID | 9bf2GvP7wnG |
|---|---|
| InChI | InChI=1S/C18H18N2OS/c1-2-3-12-22-15-10-8-14(9-11-15)20-13-19-17-7-5-4-6-16(17)18(20)21/h4-11,13H,2-3,12H2,1H3 |
| InChIKey | YHKYMXGRFCJUDD-UHFFFAOYSA-N |
| Mol Weight | 310.42 g/mol |
| Molecular Formula | C18H18N2OS |
| Exact Mass | 310.113984 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 10HfdhZlH6B |
|---|---|
| Name | 3-(4-Butylsulfanyl-phenyl)-3H-quinazolin-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.113984381 u |
| Formula | C18H18N2OS |
| InChI | InChI=1S/C18H18N2OS/c1-2-3-12-22-15-10-8-14(9-11-15)20-13-19-17-7-5-4-6-16(17)18(20)21/h4-11,13H,2-3,12H2,1H3 |
| InChIKey | YHKYMXGRFCJUDD-UHFFFAOYSA-N |
| Molecular Weight | 310.415 g/mol |
| SMILES | C1=CC2=C(C(N(C=N2)C2=CC=C(C=C2)SCCCC)=O)C=C1 |