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4-(1-Chloro-2,2,2-trifluoroethylidene)-3-(4-chlorophenyl)cyclobutane-1,1,2-tricarboxylate
SpectraBase Compound ID 15lu8CqAyDV
InChI InChI=1S/C21H21Cl2F3O6/c1-4-30-17(27)15-13(16(23)21(24,25)26)14(11-7-9-12(22)10-8-11)20(15,18(28)31-5-2)19(29)32-6-3/h7-10,14-15H,4-6H2,1-3H3/b16-13-/t14?,15-/m1/s1
InChIKey VEOBXNWEGYWGJH-UZTCGPOBSA-N
Mol Weight 497.29 g/mol
Molecular Formula C21H21Cl2F3O6
Exact Mass 496.066728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46Ojk0IAQ3Z
Name 4-(1-Chloro-2,2,2-trifluoroethylidene)-3-(4-chlorophenyl)cyclobutane-1,1,2-tricarboxylate
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Formula C21H21Cl2F3O6
InChI InChI=1S/C21H21Cl2F3O6/c1-4-30-17(27)15-13(16(23)21(24,25)26)14(11-7-9-12(22)10-8-11)20(15,18(28)31-5-2)19(29)32-6-3/h7-10,14-15H,4-6H2,1-3H3/b16-13-/t14?,15-/m1/s1
InChIKey VEOBXNWEGYWGJH-UZTCGPOBSA-N
Molecular Weight 497.294 g/mol
SMILES C1([C@@](C(=O)OCC)(\C(C1c1ccc(cc1)Cl)=C\(C(F)(F)F)Cl)[H])(C(=O)OCC)C(=O)OCC
SPLASH splash10-0uka-0009500000-4774ec25783dce499c5d
Source of Spectrum F-65-1992-6h
Wiley ID 1681514