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4,4-Difluoro-2-iodo-5-keto-5-phenyl-valeric acid methyl ester
SpectraBase Compound ID IumXXA8ssOf
InChI InChI=1S/C12H11F2IO3/c1-18-11(17)9(15)7-12(13,14)10(16)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKey HWIOVXCBZNBFKX-UHFFFAOYSA-N
Mol Weight 368.12 g/mol
Molecular Formula C12H11F2IO3
Exact Mass 367.972096 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID X3mkE4k9q8
Name 4,4-Difluoro-2-iodo-5-keto-5-phenyl-valeric acid methyl ester
Alternate Name(s) 4,4-Difluoro-2-iodo-5-oxo-5-phenylpentanoic acid methyl ester Methyl 4,4-bis(fluoranyl)-2-iodanyl-5-oxidanylidene-5-phenyl-pentanoate Methyl 4,4-difluoro-2-iodo-5-oxo-5-phenyl-pentanoate
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Formula C12H11F2IO3
InChI InChI=1S/C12H11F2IO3/c1-18-11(17)9(15)7-12(13,14)10(16)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKey HWIOVXCBZNBFKX-UHFFFAOYSA-N
Molecular Weight 368.118 g/mol
SMILES C(CC(C(=O)OC)I)(C(=O)c1ccccc1)(F)F
SPLASH splash10-0a4i-0910000000-27e3bc3f54c27e832b62
Source of Spectrum J-60-6803-8
Wiley ID 1352725