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4-Acetoxy-2,5-dichloro-4-perfluorooctyl-2,5-cyclohexadien-1-one

View entire compound with spectra: 1 MS (GC)

4-Acetoxy-2,5-dichloro-4-perfluorooctyl-2,5-cyclohexadien-1-one
SpectraBase Compound ID 5SPxQHeP0qk
InChI InChI=1S/C16H5Cl2F17O3/c1-4(36)38-8(3-5(17)6(37)2-7(8)18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)35/h2-3H,1H3
InChIKey AXMRGKSKBBQAGU-UHFFFAOYSA-N
Mol Weight 639.09 g/mol
Molecular Formula C16H5Cl2F17O3
Exact Mass 637.934428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J7nCxnohIfV
Name 4-Acetoxy-2,5-dichloro-4-perfluorooctyl-2,5-cyclohexadien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H5Cl2F17O3
InChI InChI=1S/C16H5Cl2F17O3/c1-4(36)38-8(3-5(17)6(37)2-7(8)18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)35/h2-3H,1H3
InChIKey AXMRGKSKBBQAGU-UHFFFAOYSA-N
Molecular Weight 639.092 g/mol
SMILES C1(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C=C(Cl)C(C=C1Cl)=O)OC(=O)C
SPLASH splash10-03di-0090010000-fc9499892fc874fa6203
Source of Spectrum AJ-64-847-2
Synonyms 2,5-Dichloro-1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-4-oxo-2,5-cyclohexadien-1-yl acetate
Wiley ID 1412461