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8-[2'-chloro-1',2'-bis(4-chlorophenyl)ethyl]-3,7-dihydro-1,3,7trimethyl-1H-purin-2,6-dione
SpectraBase Compound ID 2nBUeEleBo3
InChI InChI=1S/C22H19Cl3N4O2/c1-27-18-20(28(2)22(31)29(3)21(18)30)26-19(27)16(12-4-8-14(23)9-5-12)17(25)13-6-10-15(24)11-7-13/h4-11,16-17H,1-3H3
InChIKey PMBPIZRFTGWJEZ-UHFFFAOYSA-N
Mol Weight 477.78 g/mol
Molecular Formula C22H19Cl3N4O2
Exact Mass 476.057359 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 20mjV2MGfzT
Name 8-[2'-chloro-1',2'-bis(4-chlorophenyl)ethyl]-3,7-dihydro-1,3,7trimethyl-1H-purin-2,6-dione
CAS Registry Number 130149-68-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19Cl3N4O2
InChI InChI=1S/C22H19Cl3N4O2/c1-27-18-20(28(2)22(31)29(3)21(18)30)26-19(27)16(12-4-8-14(23)9-5-12)17(25)13-6-10-15(24)11-7-13/h4-11,16-17H,1-3H3
InChIKey PMBPIZRFTGWJEZ-UHFFFAOYSA-N
Molecular Weight 477.779 g/mol
SMILES c12c(N(C)C(N(C2=O)C)=O)nc([n]1C)C(C(c1ccc(cc1)Cl)Cl)c1ccc(cc1)Cl
SPLASH splash10-014i-0009000000-11faeed26eb291502a62
Source of Spectrum K-124-343-3
Synonyms 8-[2-chloro-1,2-bis(4-chlorophenyl)ethyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Wiley ID 1394231