![4(3H)-quinazolinone, 3-ethyl-2-[(2-phenylethyl)thio]-](/api/spectrum/1haOl0sLqap/structure.png?h=300&w=458 "4(3H)-quinazolinone, 3-ethyl-2-[(2-phenylethyl)thio]-")
| SpectraBase Compound ID | 8GDwb8e9wBp |
|---|---|
| InChI | InChI=1S/C18H18N2OS/c1-2-20-17(21)15-10-6-7-11-16(15)19-18(20)22-13-12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3 |
| InChIKey | WTBROJZGLRXKIO-UHFFFAOYSA-N |
| Mol Weight | 310.42 g/mol |
| Molecular Formula | C18H18N2OS |
| Exact Mass | 310.113984 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1haOl0sLqap |
|---|---|
| Name | 4(3H)-Quinazolinone, 3-ethyl-2-[(2-phenylethyl)thio]- |
| 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/c1-2-20-17(21)15-10-6-7-11-16(15)19-18(20)22-13-12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3 |
| InChIKey | WTBROJZGLRXKIO-UHFFFAOYSA-N |
| SMILES | C=1C=CC(CCSC=2N(C(C=3C(=CC=CC3)N2)=O)CC)=CC1 |