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(E)-3-[(Pentafluoropropanoyl)methylene]-1H-isobenzofuran-1-one
SpectraBase Compound ID Bkn89tSi7Hg
InChI InChI=1S/C12H5F5O3/c13-11(14,12(15,16)17)9(18)5-8-6-3-1-2-4-7(6)10(19)20-8/h1-5H/b8-5+
InChIKey ZJGCSBZKODZWCX-VMPITWQZSA-N
Mol Weight 292.16 g/mol
Molecular Formula C12H5F5O3
Exact Mass 292.015885 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4mY79AYP56
Name (E)-3-[(Pentafluoropropanoyl)methylene]-1H-isobenzofuran-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H5F5O3
InChI InChI=1S/C12H5F5O3/c13-11(14,12(15,16)17)9(18)5-8-6-3-1-2-4-7(6)10(19)20-8/h1-5H/b8-5+
InChIKey ZJGCSBZKODZWCX-VMPITWQZSA-N
Molecular Weight 292.161 g/mol
SMILES C(C(F)(F)F)(C(\C=C/1OC(=O)c2c1cccc2)=O)(F)F
SPLASH splash10-00di-0900000000-25ff591c7d1dde8ef1ce
Source of Spectrum B-54-340-0
Synonyms 3-(E)-(2',2',3',3',3'-Pentafluoropropionyl)methylene-phthalide (3E)-3-(3,3,4,4,4-pentafluoro-2-oxobutylidene)-2-benzofuran-1(3H)-one (E)-3-[(Pentafluoropropanoyl)methylene]-1H-benzo[4,5-a]isobenzofuran
Wiley ID 840854