![3-[2-(4-chloroanilino)ethyl]-4(3H)-quinazolinone](/api/spectrum/3HAbFqNHVGI/structure.png?h=300&w=458 "3-[2-(4-chloroanilino)ethyl]-4(3H)-quinazolinone")
| SpectraBase Compound ID | K9fRFByMuxP |
|---|---|
| InChI | InChI=1S/C16H14ClN3O/c17-12-5-7-13(8-6-12)18-9-10-20-11-19-15-4-2-1-3-14(15)16(20)21/h1-8,11,18H,9-10H2 |
| InChIKey | PXXISZCIYWTHBG-UHFFFAOYSA-N |
| Mol Weight | 299.76 g/mol |
| Molecular Formula | C16H14ClN3O |
| Exact Mass | 299.08254 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3HAbFqNHVGI |
|---|---|
| Name | 3-[2-(4-Chloroanilino)ethyl]-4(3H)-quinazolinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.082539782 u |
| Formula | C16H14ClN3O |
| InChI | InChI=1S/C16H14ClN3O/c17-12-5-7-13(8-6-12)18-9-10-20-11-19-15-4-2-1-3-14(15)16(20)21/h1-8,11,18H,9-10H2 |
| InChIKey | PXXISZCIYWTHBG-UHFFFAOYSA-N |
| SMILES | N(CCN1C(C2=C(C=CC=C2)N=C1)=O)C1=CC=C(C=C1)Cl |