| SpectraBase Compound ID | 9llNNM8kM7t |
|---|---|
| InChI | InChI=1S/C17H15BrN2O2/c1-9-6-13(7-10(2)16(9)21)20-11(3)19-15-5-4-12(18)8-14(15)17(20)22/h4-8,21H,1-3H3 |
| InChIKey | PBXWMYRTSVLMAI-UHFFFAOYSA-N |
| Mol Weight | 359.22 g/mol |
| Molecular Formula | C17H15BrN2O2 |
| Exact Mass | 358.031691 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KdB4R3tUTTy |
|---|---|
| Name | 6-Bromo-3-(4-hydroxy-3,5-xylyl)-2-methyl-4(3H)-quinazolinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.031690729 u |
| Formula | C17H15BrN2O2 |
| InChI | InChI=1S/C17H15BrN2O2/c1-9-6-13(7-10(2)16(9)21)20-11(3)19-15-5-4-12(18)8-14(15)17(20)22/h4-8,21H,1-3H3 |
| InChIKey | PBXWMYRTSVLMAI-UHFFFAOYSA-N |
| Molecular Weight | 359.223 g/mol |
| SMILES | OC=1C(=CC(=CC1C)N1C(=NC=2C=CC(=CC2C1=O)Br)C)C |