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(2S,3R)-7-chloranyl-3-(2,4-dichlorophenyl)-2-methyl-1-methylidene-3,4-dihydro-2H-xanthen-9-one
SpectraBase Compound ID IyeUa3wOGuL
InChI InChI=1S/C21H15Cl3O2/c1-10-11(2)20-19(9-15(10)14-5-3-13(23)8-17(14)24)26-18-6-4-12(22)7-16(18)21(20)25/h3-8,10,15H,2,9H2,1H3/t10-,15-/m1/s1
InChIKey HTKRRRMSIIKLDC-MEBBXXQBSA-N
Mol Weight 405.71 g/mol
Molecular Formula C21H15Cl3O2
Exact Mass 404.013763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DXBVPCYq6Wt
Name (2S,3R)-7-chloranyl-3-(2,4-dichlorophenyl)-2-methyl-1-methylidene-3,4-dihydro-2H-xanthen-9-one
Alternate Name(s) (2S,3R)-7-chloro-3-(2,4-dichlorophenyl)-2-methyl-1-methylene-3,4-dihydro-2H-xanthen-9-one (2S,3R)-7-chloro-3-(2,4-dichlorophenyl)-2-methyl-1-methylidene-3,4-dihydro-2H-xanthen-9-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15Cl3O2
InChI InChI=1S/C21H15Cl3O2/c1-10-11(2)20-19(9-15(10)14-5-3-13(23)8-17(14)24)26-18-6-4-12(22)7-16(18)21(20)25/h3-8,10,15H,2,9H2,1H3/t10-,15-/m1/s1
InChIKey HTKRRRMSIIKLDC-MEBBXXQBSA-N
Molecular Weight 405.708 g/mol
SMILES C1=2C([C@@](C)([C@@](CC2Oc2c(C1=O)cc(cc2)Cl)(c1c(cc(cc1)Cl)Cl)[H])[H])=C
SPLASH splash10-0pba-0055900000-a800cbeb00ef4516e088
Source of Spectrum KC-0-3739-4
Wiley ID 832053