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4-(1-Chloro-2,2,2-trifluoroethylidene)-3-(4-methylphenyl)cyclobutane-1,1,2-tricarboxylate
SpectraBase Compound ID CeGTv5w7JSx
InChI InChI=1S/C22H24ClF3O6/c1-5-30-18(27)16-14(17(23)22(24,25)26)15(13-10-8-12(4)9-11-13)21(16,19(28)31-6-2)20(29)32-7-3/h8-11,15-16H,5-7H2,1-4H3/b17-14-/t15?,16-/m1/s1
InChIKey VKJRILHXNJZQHC-IDFDOHGRSA-N
Mol Weight 476.88 g/mol
Molecular Formula C22H24ClF3O6
Exact Mass 476.121351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EIxHvXesOT9
Name 4-(1-Chloro-2,2,2-trifluoroethylidene)-3-(4-methylphenyl)cyclobutane-1,1,2-tricarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24ClF3O6
InChI InChI=1S/C22H24ClF3O6/c1-5-30-18(27)16-14(17(23)22(24,25)26)15(13-10-8-12(4)9-11-13)21(16,19(28)31-6-2)20(29)32-7-3/h8-11,15-16H,5-7H2,1-4H3/b17-14-/t15?,16-/m1/s1
InChIKey VKJRILHXNJZQHC-IDFDOHGRSA-N
Molecular Weight 476.876 g/mol
SMILES C1([C@@](C(=O)OCC)(\C(C1c1ccc(cc1)C)=C\(C(F)(F)F)Cl)[H])(C(=O)OCC)C(=O)OCC
SPLASH splash10-0fai-0003900000-4dca4fc5fd4a41c0ae7e
Source of Spectrum F-65-1992-6b
Wiley ID 1681517