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1-chloro-4-[2-(4-chlorophenyl)-1-isopropylidene-3-methyl-but-2-enyl]benzene
SpectraBase Compound ID EqSYmmv3LSa
InChI InChI=1S/C20H20Cl2/c1-13(2)19(15-5-9-17(21)10-6-15)20(14(3)4)16-7-11-18(22)12-8-16/h5-12H,1-4H3
InChIKey NMFJCXFJVRPQCP-UHFFFAOYSA-N
Mol Weight 331.29 g/mol
Molecular Formula C20H20Cl2
Exact Mass 330.094206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EhB0vk2xMMW
Name 1-chloro-4-[2-(4-chlorophenyl)-1-isopropylidene-3-methyl-but-2-enyl]benzene
Appearance Colourless waxy solid
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Formula C20H20Cl2
InChI InChI=1S/C20H20Cl2/c1-13(2)19(15-5-9-17(21)10-6-15)20(14(3)4)16-7-11-18(22)12-8-16/h5-12H,1-4H3
InChIKey NMFJCXFJVRPQCP-UHFFFAOYSA-N
Instrument Name Finnigan Polaris Q ion trap
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/anie.201604527
Molecular Weight 331.286 g/mol
Quality 3
Reported Formula C20H20Cl2
SMILES C1=CC(=CC=C1Cl)C(C(C1=CC=C(C=C1)Cl)=C(C)C)=C(C)C
SPLASH splash10-004i-0955000000-af4fc65af04301b29e52
Source of Spectrum ACI-55-SM13-2f (DOI: 10.1002/anie.201604527)
Thin-Layer Chromatography 0.40 (PS, 40-60oC)
Wiley ID 1901026