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2-(3-chloro-6,7-difluoro-1-thiazolo[3,4-a]quinoxalinylidene)propanedioic acid diethyl ester
SpectraBase Compound ID GVT9HSisR5q
InChI InChI=1S/C17H13ClF2N2O4S/c1-3-25-16(23)11(17(24)26-4-2)15-22-9-6-5-8(19)12(20)13(9)21-7-10(22)14(18)27-15/h5-7H,3-4H2,1-2H3
InChIKey SMWVACUMSUJMSW-UHFFFAOYSA-N
Mol Weight 414.81 g/mol
Molecular Formula C17H13ClF2N2O4S
Exact Mass 414.025262 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GWGa1e0hCTp
Name 2-(3-chloro-6,7-difluoro-1-thiazolo[3,4-a]quinoxalinylidene)propanedioic acid diethyl ester
Alternate Name(s) 2-(3-chloro-6,7-difluoro-thiazolo[3,4-a]quinoxalin-1-ylidene)malonic acid diethyl ester diethyl 2-(3-chloro-6,7-difluoro-thiazolo[3,4-a]quinoxalin-1-ylidene)propanedioate diethyl 2-(3-chloro-6,7-difluoro-[1,3]thiazolo[3,4-a]quinoxalin-1-ylidene)propanedioate diethyl 2-[3-chloranyl-6,7-bis(fluoranyl)-[1,3]thiazolo[3,4-a]quinoxalin-1-ylidene]propanedioate
Comments Less than 3 mono-isotopic peaks
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Formula C17H13ClF2N2O4S
InChI InChI=1S/C17H13ClF2N2O4S/c1-3-25-16(23)11(17(24)26-4-2)15-22-9-6-5-8(19)12(20)13(9)21-7-10(22)14(18)27-15/h5-7H,3-4H2,1-2H3
InChIKey SMWVACUMSUJMSW-UHFFFAOYSA-N
Molecular Weight 414.811 g/mol
SMILES C1(N2C(C=Nc3c2ccc(F)c3F)=C(S1)Cl)=C(C(=O)OCC)C(=O)OCC
SPLASH splash10-03xr-0000900000-0ef8cca07c72b8cb4130
Source of Spectrum J-59-6061-10
Wiley ID 1375176