| SpectraBase Compound ID | E7CrodCDOOm |
|---|---|
| InChI | InChI=1S/C11H10N2O3/c1-16-10(14)6-13-7-12-9-5-3-2-4-8(9)11(13)15/h2-5,7H,6H2,1H3 |
| InChIKey | QKUMWDDGSYLSBF-UHFFFAOYSA-N |
| Mol Weight | 218.21 g/mol |
| Molecular Formula | C11H10N2O3 |
| Exact Mass | 218.069142 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CfQKD8QbOg8 |
|---|---|
| Name | (4-oxo-4H-Quinazolin-3-yl)-acetic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.069142187 u |
| Formula | C11H10N2O3 |
| InChI | InChI=1S/C11H10N2O3/c1-16-10(14)6-13-7-12-9-5-3-2-4-8(9)11(13)15/h2-5,7H,6H2,1H3 |
| InChIKey | QKUMWDDGSYLSBF-UHFFFAOYSA-N |
| Molecular Weight | 218.212 g/mol |
| SMILES | C1(N(C=NC2=CC=CC=C12)CC(=O)OC)=O |