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1,4,5,8-Biphenylenetetrone, 2,3,6,7-tetrachloro-4a,4b,8a,8b-tetrahydro-, (4a.alpha.,4b.beta.,8a.beta.,8b.alpha.)-
SpectraBase Compound ID HRznqyzk7mB
InChI InChI=1S/C12H4Cl4O4/c13-5-6(14)10(18)2-1(9(5)17)3-4(2)12(20)8(16)7(15)11(3)19/h1-4H/t1-,2+,3+,4-
InChIKey KVLGVBLIPIVSIE-DUHBMQHGSA-N
Mol Weight 354.0 g/mol
Molecular Formula C12H4Cl4O4
Exact Mass 351.886369 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2DD3rDY9XVg
Name 1,4,5,8-Biphenylenetetrone, 2,3,6,7-tetrachloro-4a,4b,8a,8b-tetrahydro-, (4a.alpha.,4b.beta.,8a.beta.,8b.alpha.)-
CAS Registry Number 35322-96-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H4Cl4O4
InChI InChI=1S/C12H4Cl4O4/c13-5-6(14)10(18)2-1(9(5)17)3-4(2)12(20)8(16)7(15)11(3)19/h1-4H/t1-,2+,3+,4-
InChIKey KVLGVBLIPIVSIE-DUHBMQHGSA-N
Molecular Weight 353.972 g/mol
SMILES C1(=C(C(=O)[C@@]2([C@@]([C@]3(C(C(Cl)=C(C([C@@]23[H])=O)Cl)=O)[H])(C1=O)[H])[H])Cl)Cl
SPLASH splash10-0gw3-9410000000-e8d3000047162c8731eb
Source of Spectrum RB-1982-10231-0
Synonyms (4aR,4bR,8aS,8bS)-2,3,6,7-tetrachloro-4a,4b,8a,8b-tetrahydro-1,4,5,8-biphenylenetetrone 2,3,6,7-Tetrachlorobiphenylene-1,4,5,8-tetrone
Wiley ID 116661