| SpectraBase Compound ID | KTdKlcc2215 |
|---|---|
| InChI | InChI=1S/C18H17BrN2O/c1-2-17-20-16-9-8-14(19)12-15(16)18(22)21(17)11-10-13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3 |
| InChIKey | WPVVNBNAKBRKMT-UHFFFAOYSA-N |
| Mol Weight | 357.25 g/mol |
| Molecular Formula | C18H17BrN2O |
| Exact Mass | 356.052426 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LwRLeaEQsLW |
|---|---|
| Name | 6-Bromo-2-ethyl-3-phenethylquinazolin-4(3H)-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.052426174 u |
| Formula | C18H17BrN2O |
| InChI | InChI=1S/C18H17BrN2O/c1-2-17-20-16-9-8-14(19)12-15(16)18(22)21(17)11-10-13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3 |
| InChIKey | WPVVNBNAKBRKMT-UHFFFAOYSA-N |
| Molecular Weight | 357.251 g/mol |
| SMILES | C1(Br)=CC=C2C(=C1)C(=O)N(CCC1=CC=CC=C1)C(CC)=N2 |