![3-[2-Keto-8-bromooctyl]-4-quinazolone](/api/spectrum/BiO51ET3CGd/structure.png?h=300&w=458 "3-[2-Keto-8-bromooctyl]-4-quinazolone")
| SpectraBase Compound ID | BPKdJncQKQ7 |
|---|---|
| InChI | InChI=1S/C16H19BrN2O2/c17-10-6-2-1-3-7-13(20)11-19-12-18-15-9-5-4-8-14(15)16(19)21/h4-5,8-9,12H,1-3,6-7,10-11H2 |
| InChIKey | CPHOLFWDTOWEPO-UHFFFAOYSA-N |
| Mol Weight | 351.24 g/mol |
| Molecular Formula | C16H19BrN2O2 |
| Exact Mass | 350.062991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BiO51ET3CGd |
|---|---|
| Name | 3-[2-Keto-8-bromooctyl]-4-quinazolone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.062990858 u |
| Formula | C16H19BrN2O2 |
| InChI | InChI=1S/C16H19BrN2O2/c17-10-6-2-1-3-7-13(20)11-19-12-18-15-9-5-4-8-14(15)16(19)21/h4-5,8-9,12H,1-3,6-7,10-11H2 |
| InChIKey | CPHOLFWDTOWEPO-UHFFFAOYSA-N |
| Molecular Weight | 351.244 g/mol |
| SMILES | C(Br)CCCCCC(=O)CN1C(=O)C=2C=CC=CC2N=C1 |