| SpectraBase Spectrum ID |
IVRANImd24C |
| Name |
3,4-Quinolinedicarboxylic acid, 1,2-dihydro-1-(4-methoxyphenyl)-2-oxo-, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
367.105587265 u |
| Formula |
C20H17NO6 |
| InChI |
InChI=1S/C20H17NO6/c1-25-13-10-8-12(9-11-13)21-15-7-5-4-6-14(15)16(19(23)26-2)17(18(21)22)20(24)27-3/h4-11H,1-3H3 |
| InChIKey |
RVJMERWYNDOBNG-UHFFFAOYSA-N |
| Molecular Weight |
367.357 g/mol |
| SMILES |
C=1(C(N(C=2C=CC(=CC2)OC)C2=C(C1C(=O)OC)C=CC=C2)=O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877988 |
