| SpectraBase Spectrum ID |
22AHOGOmL3G |
| Name |
2-[3,3-bis(ethoxycarbonyl)-4-oxo-2-quinolyl]-5-nitro-benzoic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
454.101230159 u |
| Formula |
C22H18N2O9 |
| InChI |
InChI=1S/C22H18N2O9/c1-3-32-20(28)22(21(29)33-4-2)17(23-16-8-6-5-7-14(16)18(22)25)13-10-9-12(24(30)31)11-15(13)19(26)27/h5-11H,3-4H2,1-2H3,(H,26,27) |
| InChIKey |
FDBSEAKAAPTQRI-UHFFFAOYSA-N |
| Instrument Name |
Schimadzu GCMPS 9P1000ex |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.4276 |
| Molecular Weight |
454.391 g/mol |
| Quality |
635 |
| SMILES |
OC(C1=CC(=CC=C1C=1C(C(C=2C=CC=CC2N1)=O)(C(OCC)=O)C(OCC)=O)[N+]([O-])=O)=O |
| SPLASH |
splash10-00xr-4791000000-8072bb7262466919a716 |
| Source of Spectrum |
Y-58-SM36-8b (DOI: 10.1002/jhet.4276) |
| Wiley ID |
1892378 |
![2-[3,3-bis(ethoxycarbonyl)-4-oxo-2-quinolyl]-5-nitro-benzoic acid](/api/spectrum/22AHOGOmL3G/structure.png?h=300&w=458 "2-[3,3-bis(ethoxycarbonyl)-4-oxo-2-quinolyl]-5-nitro-benzoic acid")
