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tetramethyl 5-(hexachloro-2,4,6-cycloheptatrienylidene)-1,3-cyclopentadiene-1,2,3,4-tetracarboxylate
SpectraBase Compound ID J1qOoKaxkce
InChI InChI=1S/C20H12Cl6O8/c1-31-17(27)6-5(10-11(21)13(23)15(25)16(26)14(24)12(10)22)7(18(28)32-2)9(20(30)34-4)8(6)19(29)33-3/h1-4H3
InChIKey GTSHVAWUMXVRBM-UHFFFAOYSA-N
Mol Weight 593.0 g/mol
Molecular Formula C20H12Cl6O8
Exact Mass 589.866334 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FUMREetGK12
Name tetramethyl 5-(hexachloro-2,4,6-cycloheptatrienylidene)-1,3-cyclopentadiene-1,2,3,4-tetracarboxylate
CAS Registry Number 114379-14-5
Comments Removed - expert review - solvent impurities
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H12Cl6O8
InChI InChI=1S/C20H12Cl6O8/c1-31-17(27)6-5(10-11(21)13(23)15(25)16(26)14(24)12(10)22)7(18(28)32-2)9(20(30)34-4)8(6)19(29)33-3/h1-4H3
InChIKey GTSHVAWUMXVRBM-UHFFFAOYSA-N
Molecular Weight 593.026 g/mol
SMILES C1(=C2C(=C(C(=O)OC)C(=C2C(=O)OC)C(=O)OC)C(=O)OC)C(=C(C(Cl)=C(C(=C1Cl)Cl)Cl)Cl)Cl
SPLASH splash10-014i-0090000000-95f1df5bd874d156965f
Source of Spectrum K-121-1598-11
Synonyms tetramethyl 5-(2,3,4,5,6,7-hexachloro-2,4,6-cycloheptatrien-1-ylidene)-1,3-cyclopentadiene-1,2,3,4-tetracarboxylate
Wiley ID 1409279