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(3S,4R)-4-(2-quinolinyl)cyclobutene-1,2,3-tricarboxylic acid O1-ethyl ester O2,O3-dimethyl ester
SpectraBase Compound ID LNp7k6H5KC9
InChI InChI=1S/C20H19NO6/c1-4-27-20(24)16-14(15(18(22)25-2)17(16)19(23)26-3)13-10-9-11-7-5-6-8-12(11)21-13/h5-10,14-15H,4H2,1-3H3/t14-,15+/m1/s1
InChIKey GXBPOJSALJHNDD-CABCVRRESA-N
Mol Weight 369.37 g/mol
Molecular Formula C20H19NO6
Exact Mass 369.121237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSwsIdJ4otM
Name (3S,4R)-4-(2-quinolinyl)cyclobutene-1,2,3-tricarboxylic acid O1-ethyl ester O2,O3-dimethyl ester
Alternate Name(s) (3S,4R)-4-(2-quinolyl)cyclobutene-1,2,3-tricarboxylic acid O1-ethyl ester O2,O3-dimethyl ester 1-O-ethyl 2-O,3-O-dimethyl (3S,4R)-4-quinolin-2-ylcyclobutene-1,2,3-tricarboxylate O1-ethyl O2,O3-dimethyl (3S,4R)-4-(2-quinolyl)cyclobutene-1,2,3-tricarboxylate O1-ethyl O2,O3-dimethyl (3S,4R)-4-quinolin-2-ylcyclobutene-1,2,3-tricarboxylate
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Formula C20H19NO6
InChI InChI=1S/C20H19NO6/c1-4-27-20(24)16-14(15(18(22)25-2)17(16)19(23)26-3)13-10-9-11-7-5-6-8-12(11)21-13/h5-10,14-15H,4H2,1-3H3/t14-,15+/m1/s1
InChIKey GXBPOJSALJHNDD-CABCVRRESA-N
Molecular Weight 369.373 g/mol
SMILES C1(=C(C(=O)OC)[C@]([C@]1(c1nc2ccccc2cc1)[H])(C(=O)OC)[H])C(=O)OCC
SPLASH splash10-0ffx-0970000000-3f3cd6d9c182f49e429b
Source of Spectrum AH-132-1560-3
Wiley ID 849916