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2,4-Dinitro-4'-chlorodiphenylsulphoxyde
SpectraBase Compound ID F1u4JbIn1G5
InChI InChI=1S/C12H7ClN2O5S/c13-8-1-4-10(5-2-8)21(20)12-6-3-9(14(16)17)7-11(12)15(18)19/h1-7H
InChIKey RQZKQKFMHPBMFA-UHFFFAOYSA-N
Mol Weight 326.71 g/mol
Molecular Formula C12H7ClN2O5S
Exact Mass 325.97642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ApK8HKiDxpF
Name 2,4-Dinitro-4'-chlorodiphenylsulphoxyde
Alternate Name(s) 1-[(4-chlorophenyl)sulfinyl]-2,4-dinitrobenzene 2,4-Dinitro-4'-chlorodiphenylsulphoxide 2,4-Dinitro-4-chlorodiphenylsulphoxide 4-Chlorophenyl 2,4-dinitrophenyl sulfoxide
CAS Registry Number 966-72-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H7ClN2O5S
InChI InChI=1S/C12H7ClN2O5S/c13-8-1-4-10(5-2-8)21(20)12-6-3-9(14(16)17)7-11(12)15(18)19/h1-7H
InChIKey RQZKQKFMHPBMFA-UHFFFAOYSA-N
Molecular Weight 326.710 g/mol
SMILES c1(c(S(c2ccc(cc2)Cl)=O)ccc(N(=O)=O)c1)N(=O)=O
SPLASH splash10-004i-2930000000-4e881caf1eca85fff6e4
Source of Spectrum W6-1989-13260-1
Wiley ID 140711