| SpectraBase Compound ID | 2E80t5h5XoO |
|---|---|
| InChI | InChI=1S/C18H17BrN2O/c1-2-3-8-17-20-16-7-5-4-6-15(16)18(22)21(17)14-11-9-13(19)10-12-14/h4-7,9-12H,2-3,8H2,1H3 |
| InChIKey | UCKIHWFITHOEFR-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 | ECsDz7VNf9r |
|---|---|
| Name | 3-(4-Bromophenyl)-2-butyl-4(3H)-quinazolinone |
| 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/c1-2-3-8-17-20-16-7-5-4-6-15(16)18(22)21(17)14-11-9-13(19)10-12-14/h4-7,9-12H,2-3,8H2,1H3 |
| InChIKey | UCKIHWFITHOEFR-UHFFFAOYSA-N |
| Molecular Weight | 357.251 g/mol |
| SMILES | CCCCC=1N(C(C2=CC=CC=C2N1)=O)C=1C=CC(=CC1)Br |