![Methyl 2-[(4'-oxo-4H-quinazolin-3'-yl)methyl]-benzoate](/api/spectrum/45n5XD7HEWZ/structure.png?h=300&w=458 "Methyl 2-[(4'-oxo-4H-quinazolin-3'-yl)methyl]-benzoate")
| SpectraBase Compound ID | 9TiLRurvS0x |
|---|---|
| InChI | InChI=1S/C17H14N2O3/c1-22-17(21)13-7-3-2-6-12(13)10-19-11-18-15-9-5-4-8-14(15)16(19)20/h2-9,11H,10H2,1H3 |
| InChIKey | UJDMVIZLLDFEQN-UHFFFAOYSA-N |
| Mol Weight | 294.31 g/mol |
| Molecular Formula | C17H14N2O3 |
| Exact Mass | 294.100442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 45n5XD7HEWZ |
|---|---|
| Name | Methyl 2-[(4'-oxo-4H-quinazolin-3'-yl)methyl]-benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.100442316 u |
| Formula | C17H14N2O3 |
| InChI | InChI=1S/C17H14N2O3/c1-22-17(21)13-7-3-2-6-12(13)10-19-11-18-15-9-5-4-8-14(15)16(19)20/h2-9,11H,10H2,1H3 |
| InChIKey | UJDMVIZLLDFEQN-UHFFFAOYSA-N |
| Molecular Weight | 294.310 g/mol |
| SMILES | C1(N(C=NC=2C1=CC=CC2)CC1=C(C(=O)OC)C=CC=C1)=O |