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1-[(difluoromethyl)thio]-3-nitrobenzene
SpectraBase Compound ID 6iYd10TAHem
InChI InChI=1S/C7H5F2NO2S/c8-7(9)13-6-3-1-2-5(4-6)10(11)12/h1-4,7H
InChIKey AITHTCAMGFKXHL-UHFFFAOYSA-N
Mol Weight 205.18 g/mol
Molecular Formula C7H5F2NO2S
Exact Mass 205.000906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5XyMeqWLnJK
Name 1-[(difluoromethyl)thio]-3-nitrobenzene
Alternate Name(s) (difluoromethyl)(3-nitrophenyl)sulfane 1-(difluoromethylthio)-3-nitrobenzene 1-(difluoromethylsulfanyl)-3-nitrobenzene 1-(difluoromethylsulfanyl)-3-nitro-benzene 1-[bis(fluoranyl)methylsulfanyl]-3-nitro-benzene
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Formula C7H5F2NO2S
InChI InChI=1S/C7H5F2NO2S/c8-7(9)13-6-3-1-2-5(4-6)10(11)12/h1-4,7H
InChIKey AITHTCAMGFKXHL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201500899
Molecular Weight 205.179 g/mol
SMILES c1(cccc(SC(F)F)c1)[N+](=O)[O-]
SPLASH splash10-0a4i-0950000000-c48358e2b29fad2f33ce
Source of Spectrum ACI-54-5753/SMS25-25
Wiley ID 1761202