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2,3-bis(2'-chloroprop-2'-enyl)-1,4-dimethoxyanthraquinone
SpectraBase Compound ID 1ty8yryhUdr
InChI InChI=1S/C22H18Cl2O4/c1-11(23)9-15-16(10-12(2)24)22(28-4)18-17(21(15)27-3)19(25)13-7-5-6-8-14(13)20(18)26/h5-8H,1-2,9-10H2,3-4H3
InChIKey NJFWLDQUUMVYDX-UHFFFAOYSA-N
Mol Weight 417.29 g/mol
Molecular Formula C22H18Cl2O4
Exact Mass 416.058214 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID eSoooKTnIP
Name 2,3-bis(2'-chloroprop-2'-enyl)-1,4-dimethoxyanthraquinone
Alternate Name(s) 2,3-bis(2-chloro-2-propenyl)-1,4-dimethoxyanthra-9,10-quinone
Comments Less than 3 mono-isotopic peaks
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Formula C22H18Cl2O4
InChI InChI=1S/C22H18Cl2O4/c1-11(23)9-15-16(10-12(2)24)22(28-4)18-17(21(15)27-3)19(25)13-7-5-6-8-14(13)20(18)26/h5-8H,1-2,9-10H2,3-4H3
InChIKey NJFWLDQUUMVYDX-UHFFFAOYSA-N
Molecular Weight 417.288 g/mol
SMILES c12c(C(=O)c3c(C2=O)cccc3)c(OC)c(c(c1OC)CC(=C)Cl)CC(=C)Cl
SPLASH splash10-00lr-0008900000-cb9bce3d6909fc455b82
Source of Spectrum B-48-1089-0
Wiley ID 1376283