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2,2',3,4,4',5,6-Heptachloro-1,1'-biphenyl
SpectraBase Compound ID 9ZgxtadW6R4
InChI InChI=1S/C12H3Cl7/c13-4-1-2-5(6(14)3-4)7-8(15)10(17)12(19)11(18)9(7)16/h1-3H
InChIKey DJEUXBQAKBLKPO-UHFFFAOYSA-N
Mol Weight 395.3 g/mol
Molecular Formula C12H3Cl7
Exact Mass 391.805444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JinZZrPbIrm
Name 2,2',3,4,4',5,6-Heptachloro-1,1'-biphenyl
CAS Registry Number 74472-47-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H3Cl7
InChI InChI=1S/C12H3Cl7/c13-4-1-2-5(6(14)3-4)7-8(15)10(17)12(19)11(18)9(7)16/h1-3H
InChIKey DJEUXBQAKBLKPO-UHFFFAOYSA-N
Molecular Weight 395.327 g/mol
SMILES c1cc(c(cc1Cl)Cl)-c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl
SPLASH splash10-01vn-2819000000-0827ad44f2f4bcdb0602
Source of Spectrum W5-1989-15254-1
Synonyms 1,1'-Biphenyl, 2,2',3,4,4',5,6-Heptachloro- 1,2,3,4,5-pentachloro-6-(2,4-dichlorophenyl)benzene 1,2,3,4,5-pentakis(chloranyl)-6-(2,4-dichlorophenyl)benzene PCB 181
Wiley ID 1365521