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2-Ethylsulfanylethyl 4-(2-chloranyl-5-nitro-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate
SpectraBase Compound ID B7FZ0iaRAIZ
InChI InChI=1S/C23H27ClN2O5S/c1-5-32-9-8-31-22(28)19-13(2)25-17-11-23(3,4)12-18(27)21(17)20(19)15-10-14(26(29)30)6-7-16(15)24/h6-7,10,20,25H,5,8-9,11-12H2,1-4H3
InChIKey JGYOOFZCXSTRRS-UHFFFAOYSA-N
Mol Weight 478.99 g/mol
Molecular Formula C23H27ClN2O5S
Exact Mass 478.132921 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IL75XPuanJx
Name 2-Ethylsulfanylethyl 4-(2-chloranyl-5-nitro-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate
Alternate Name(s) 2-Ethylsulfanylethyl 4-(2-chloro-5-nitro-phenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate 4-(2-Chloro-5-nitro-phenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester 4-(2-Chloro-5-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester
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Formula C23H27ClN2O5S
InChI InChI=1S/C23H27ClN2O5S/c1-5-32-9-8-31-22(28)19-13(2)25-17-11-23(3,4)12-18(27)21(17)20(19)15-10-14(26(29)30)6-7-16(15)24/h6-7,10,20,25H,5,8-9,11-12H2,1-4H3
InChIKey JGYOOFZCXSTRRS-UHFFFAOYSA-N
Molecular Weight 478.991 g/mol
SMILES N1C(=C(C(C=2C(CC(CC12)(C)C)=O)c1cc(N(=O)=O)ccc1Cl)C(=O)OCCSCC)C
SPLASH splash10-000l-9211000000-ee9aad48dfdc92bc67c2
Wiley ID 1448201