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2,2'-dichloro-9,9'-anthrapinacol
SpectraBase Compound ID Bon14OPIBAq
InChI InChI=1S/C28H20Cl2O2/c29-21-11-9-19-13-17-5-1-3-7-23(17)27(31,25(19)15-21)28(32)24-8-4-2-6-18(24)14-20-10-12-22(30)16-26(20)28/h1-12,15-16,31-32H,13-14H2
InChIKey XNKRPDZAIVTOQF-UHFFFAOYSA-N
Mol Weight 459.37 g/mol
Molecular Formula C28H20Cl2O2
Exact Mass 458.084035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Sx7FgccvfZ
Name 2,2'-dichloro-9,9'-anthrapinacol
Alternate Name(s) 2-Chloro-9-(2-chloro-9-hydroxy-9,10-dihydroanthracen-9-yl)-9,10-dihydroanthracen-9-ol
CAS Registry Number 100206-79-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H20Cl2O2
InChI InChI=1S/C28H20Cl2O2/c29-21-11-9-19-13-17-5-1-3-7-23(17)27(31,25(19)15-21)28(32)24-8-4-2-6-18(24)14-20-10-12-22(30)16-26(20)28/h1-12,15-16,31-32H,13-14H2
InChIKey XNKRPDZAIVTOQF-UHFFFAOYSA-N
Molecular Weight 459.372 g/mol
SMILES OC1(C2(c3c(ccc(c3)Cl)Cc3c2cccc3)O)c2c(ccc(c2)Cl)Cc2c1cccc2
SPLASH splash10-004l-0090600000-abe28dd75f2fb2ce07ad
Source of Spectrum J-51-998-8
Wiley ID 1389936