| SpectraBase Compound ID | Gt4oHi3F1Zq |
|---|---|
| InChI | InChI=1S/C16H13IN2O/c1-10-4-3-5-13(8-10)19-11(2)18-15-7-6-12(17)9-14(15)16(19)20/h3-9H,1-2H3 |
| InChIKey | XKEKQGJJDDOIDC-UHFFFAOYSA-N |
| Mol Weight | 376.2 g/mol |
| Molecular Formula | C16H13IN2O |
| Exact Mass | 376.007258 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3GeMkOqrtgl |
|---|---|
| Name | 6-Iodo-2-methyl-3-(3-methylphenyl)-4(3H)-quinazolinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.007258046 u |
| Formula | C16H13IN2O |
| InChI | InChI=1S/C16H13IN2O/c1-10-4-3-5-13(8-10)19-11(2)18-15-7-6-12(17)9-14(15)16(19)20/h3-9H,1-2H3 |
| InChIKey | XKEKQGJJDDOIDC-UHFFFAOYSA-N |
| Molecular Weight | 376.197 g/mol |
| SMILES | CC1=CC(N2C(C=3C=C(I)C=CC3N=C2C)=O)=CC=C1 |