| SpectraBase Compound ID | 3eVy2xYy8al |
|---|---|
| InChI | InChI=1S/C12H11NO4/c1-13-9(12(16)17-2)10(14)7-5-3-4-6-8(7)11(13)15/h3-6,14H,1-2H3 |
| InChIKey | XWTFDPRPTPQOOQ-UHFFFAOYSA-N |
| Mol Weight | 233.22 g/mol |
| Molecular Formula | C12H11NO4 |
| Exact Mass | 233.068808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DcFuXMENjRA |
|---|---|
| Name | 4-Hydroxy-2-methyl-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.068807834 u |
| Formula | C12H11NO4 |
| InChI | InChI=1S/C12H11NO4/c1-13-9(12(16)17-2)10(14)7-5-3-4-6-8(7)11(13)15/h3-6,14H,1-2H3 |
| InChIKey | XWTFDPRPTPQOOQ-UHFFFAOYSA-N |
| Molecular Weight | 233.223 g/mol |
| SMILES | C1(N(C(=C(C=2C=CC=CC12)O)C(=O)OC)C)=O |