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1-(2-Thienyl)-2,2-dichloro-2-nitroethanol
SpectraBase Compound ID Dsm4d6GNycd
InChI InChI=1S/C6H5Cl2NO3S/c7-6(8,9(11)12)5(10)4-2-1-3-13-4/h1-3,5,10H
InChIKey DJLCBHRJISRRFU-UHFFFAOYSA-N
Mol Weight 242.08 g/mol
Molecular Formula C6H5Cl2NO3S
Exact Mass 240.93672 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5vfwQgRdvNE
Name 1-(2-Thienyl)-2,2-dichloro-2-nitroethanol
Alternate Name(s) 2,2-dichloro-2-nitro-1-(2-thienyl)ethanol
Comments Less than 3 mono-isotopic peaks
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Formula C6H5Cl2NO3S
InChI InChI=1S/C6H5Cl2NO3S/c7-6(8,9(11)12)5(10)4-2-1-3-13-4/h1-3,5,10H
InChIKey DJLCBHRJISRRFU-UHFFFAOYSA-N
Molecular Weight 242.076 g/mol
SMILES OC(C(N(=O)=O)(Cl)Cl)c1cccs1
SPLASH splash10-0002-9400000000-36e5039a762e85033386
Source of Spectrum SO-0-156-2
Wiley ID 1544766