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3-(2,4-Difluoro-phenylamino)-5,5-dimethyl-cyclohex-2-enone
SpectraBase Compound ID DBsARl6jRPg
InChI InChI=1S/C14H15F2NO/c1-14(2)7-10(6-11(18)8-14)17-13-4-3-9(15)5-12(13)16/h3-6,17H,7-8H2,1-2H3
InChIKey XHITZSIFDPYHCU-UHFFFAOYSA-N
Mol Weight 251.28 g/mol
Molecular Formula C14H15F2NO
Exact Mass 251.11217 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3Ykz4OILvk
Name 3-(2,4-Difluoro-phenylamino)-5,5-dimethyl-cyclohex-2-enone
Alternate Name(s) 3-(2,4-difluoroanilino)-5,5-dimethyl-1-cyclohex-2-enone 3-(2,4-Difluoroanilino)-5,5-dimethyl-2-cyclohexen-1-one 3-(2,4-difluoroanilino)-5,5-dimethyl-cyclohex-2-en-1-one 3-[[2,4-bis(fluoranyl)phenyl]amino]-5,5-dimethyl-cyclohex-2-en-1-one
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Formula C14H15F2NO
InChI InChI=1S/C14H15F2NO/c1-14(2)7-10(6-11(18)8-14)17-13-4-3-9(15)5-12(13)16/h3-6,17H,7-8H2,1-2H3
InChIKey XHITZSIFDPYHCU-UHFFFAOYSA-N
Molecular Weight 251.277 g/mol
SMILES N(C1=CC(=O)CC(C1)(C)C)c1c(cc(cc1)F)F
SPLASH splash10-00os-4930000000-3160306a0489d11eaa31
Wiley ID 1450453