| SpectraBase Spectrum ID |
9eIa3rz6qGP |
| Name |
4-Hydroxy-2-methyl-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940064 |
