| SpectraBase Spectrum ID |
368nLvzPFdg |
| Name |
3,4-Quinolinedicarboxylic acid, 1,2,3,4-tetrahydro-2-oxo-1-phenyl-, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
339.110672646 u |
| Formula |
C19H17NO5 |
| InChI |
InChI=1S/C19H17NO5/c1-24-18(22)15-13-10-6-7-11-14(13)20(12-8-4-3-5-9-12)17(21)16(15)19(23)25-2/h3-11,15-16H,1-2H3 |
| InChIKey |
PGRFXRSINUVMTJ-UHFFFAOYSA-N |
| Molecular Weight |
339.347 g/mol |
| SMILES |
C1(C(C(C(=O)OC)C2=C(N1C1=CC=CC=C1)C=CC=C2)C(=O)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979059 |
