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(4,5-trans)-3-[(2-Bromophenyl)(4-chloro-2,3,5,6-tetrafluorophenylamino)methyl]-5-methyleneheptane-2,6-dione
SpectraBase Compound ID EPv63654Z6c
InChI InChI=1S/C21H17BrClF4NO2/c1-9(10(2)29)8-13(11(3)30)20(12-6-4-5-7-14(12)22)28-21-18(26)16(24)15(23)17(25)19(21)27/h4-7,13,20,28H,1,8H2,2-3H3/t13-,20+/m0/s1
InChIKey FHERRLVAKJWMFG-RNODOKPDSA-N
Mol Weight 506.72 g/mol
Molecular Formula C21H17BrClF4NO2
Exact Mass 505.006732 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BqAgNPbNBVB
Name (4,5-trans)-3-[(2-Bromophenyl)(4-chloro-2,3,5,6-tetrafluorophenylamino)methyl]-5-methyleneheptane-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17BrClF4NO2
InChI InChI=1S/C21H17BrClF4NO2/c1-9(10(2)29)8-13(11(3)30)20(12-6-4-5-7-14(12)22)28-21-18(26)16(24)15(23)17(25)19(21)27/h4-7,13,20,28H,1,8H2,2-3H3/t13-,20+/m0/s1
InChIKey FHERRLVAKJWMFG-RNODOKPDSA-N
Molecular Weight 506.723 g/mol
SMILES N([C@@]([C@@](CC(C(=O)C)=C)(C(=O)C)[H])(c1c(Br)cccc1)[H])c1c(c(F)c(c(c1F)F)Cl)F
SPLASH splash10-00kf-9006000000-91ae561d66c94000e3d4
Source of Spectrum KC-61-3848-3
Wiley ID 1628652