![1,3(4H)-Quinolinedicarboxylic acid, 4-oxo-, 1-[2,2-bis(4-nitrophenyl)ethyl]3-ethyl ester](/api/spectrum/BZhtSBRy4Wn/structure.png?h=300&w=458 "1,3(4H)-Quinolinedicarboxylic acid, 4-oxo-, 1-[2,2-bis(4-nitrophenyl)ethyl]3-ethyl ester")
| SpectraBase Compound ID | JAiUzP2p6wT |
|---|---|
| InChI | InChI=1S/C27H21N3O9/c1-2-38-26(32)22-15-28(24-6-4-3-5-21(24)25(22)31)27(33)39-16-23(17-7-11-19(12-8-17)29(34)35)18-9-13-20(14-10-18)30(36)37/h3-15,23H,2,16H2,1H3 |
| InChIKey | WEQZOWWQYKQKAY-UHFFFAOYSA-N |
| Mol Weight | 531.48 g/mol |
| Molecular Formula | C27H21N3O9 |
| Exact Mass | 531.127779 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BZhtSBRy4Wn |
|---|---|
| Name | 1,3(4H)-Quinolinedicarboxylic acid, 4-oxo-, 1-[2,2-bis(4-nitrophenyl)ethyl]3-ethyl ester |
| Alternate Name(s) | 1-O-[2,2-bis(4-nitrophenyl)ethyl]3-O-ethyl 4-oxoquinoline-1,3-dicarboxylate 1-[2,2-bis(4-nitrophenyl)ethyl]3-ethyl 4-oxo-1,3(4H)-quinolinedicarboxylate 3-Carboethoxy-1-[2',2'-bis-(4-nitrophenyl)ethoxycarbonyl]-1,4-dihydroquinolin-4-one 4-ketoquinoline-1,3-dicarboxylic acid O1-[2,2-bis(4-nitrophenyl)ethyl]ester O3-ethyl ester 4-Oxoquinoline-1,3-dicarboxylic acid O1-[2,2-bis(4-nitrophenyl)ethyl]ester O3-ethyl ester O1-[2,2-bis(4-nitrophenyl)ethyl]O3-ethyl 4-oxidanylidenequinoline-1,3-dicarboxylate O1-[2,2-bis(4-nitrophenyl)ethyl]O3-ethyl 4-oxoquinoline-1,3-dicarboxylate 4-Oxoquinoline-1,3-dicarboxylic acid O1-[2,2-bis(4-nitrophenyl)ethyl] ester O3-ethyl ester 1-O-[2,2-bis(4-nitrophenyl)ethyl] 3-O-ethyl 4-oxoquinoline-1,3-dicarboxylate O1-[2,2-bis(4-nitrophenyl)ethyl] O3-ethyl 4-oxoquinoline-1,3-dicarboxylate O1-[2,2-bis(4-nitrophenyl)ethyl] O3-ethyl 4-oxidanylidenequinoline-1,3-dicarboxylate |
| CAS Registry Number | 125836-09-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H21N3O9 |
| InChI | InChI=1S/C27H21N3O9/c1-2-38-26(32)22-15-28(24-6-4-3-5-21(24)25(22)31)27(33)39-16-23(17-7-11-19(12-8-17)29(34)35)18-9-13-20(14-10-18)30(36)37/h3-15,23H,2,16H2,1H3 |
| InChIKey | WEQZOWWQYKQKAY-UHFFFAOYSA-N |
| Molecular Weight | 531.477 g/mol |
| SMILES | C1(=CN(C(OCC(c2ccc(N(=O)=O)cc2)c2ccc(N(=O)=O)cc2)=O)c2c(C1=O)cccc2)C(=O)OCC |
| SPLASH | splash10-00di-0970000000-4bcebc3e648f92958fe0 |
| Source of Spectrum | F-45-899-4 |
| Wiley ID | 1403465 |