| SpectraBase Compound ID | L2LCAVyEMLb |
|---|---|
| InChI | InChI=1S/C12H12N2O3/c1-8-13-10-6-4-3-5-9(10)12(16)14(8)7-11(15)17-2/h3-6H,7H2,1-2H3 |
| InChIKey | ZNJFMTQYVDZKRV-UHFFFAOYSA-N |
| Mol Weight | 232.24 g/mol |
| Molecular Formula | C12H12N2O3 |
| Exact Mass | 232.084792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | OwGajoGPSd |
|---|---|
| Name | (2-Methyl-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 | 232.084792251 u |
| Formula | C12H12N2O3 |
| InChI | InChI=1S/C12H12N2O3/c1-8-13-10-6-4-3-5-9(10)12(16)14(8)7-11(15)17-2/h3-6H,7H2,1-2H3 |
| InChIKey | ZNJFMTQYVDZKRV-UHFFFAOYSA-N |
| Molecular Weight | 232.239 g/mol |
| SMILES | C1=CC=C2C(=C1)N=C(C)N(C2=O)CC(OC)=O |