| SpectraBase Compound ID | Hflohk4RzYc |
|---|---|
| InChI | InChI=1S/C12H12N2O3/c15-11(16)6-3-7-14-8-13-10-5-2-1-4-9(10)12(14)17/h1-2,4-5,8H,3,6-7H2,(H,15,16) |
| InChIKey | YDSMKDAFGDSYPS-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 | LjjOtb7Vnoo |
|---|---|
| Name | 4-(4-Ketoquinazolin-3-yl)butyric acid |
| 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/c15-11(16)6-3-7-14-8-13-10-5-2-1-4-9(10)12(14)17/h1-2,4-5,8H,3,6-7H2,(H,15,16) |
| InChIKey | YDSMKDAFGDSYPS-UHFFFAOYSA-N |
| Molecular Weight | 232.239 g/mol |
| SMILES | C1(N(C=NC2=C1C=CC=C2)CCCC(=O)O)=O |