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4-[(Difluoromethyl)thio]benzonitrile

View entire compound with spectra: 1 MS (GC)

4-[(Difluoromethyl)thio]benzonitrile
SpectraBase Compound ID 2UGZUDXGSH0
InChI InChI=1S/C8H5F2NS/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-4,8H
InChIKey KMKCSCUIOKJJKC-UHFFFAOYSA-N
Mol Weight 185.19 g/mol
Molecular Formula C8H5F2NS
Exact Mass 185.011077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ahrVpo5q8L
Name 4-[(Difluoromethyl)thio]benzonitrile
Alternate Name(s) 4-((Difluoromethyl)thio)benzonitrile 4-(Difluoromethylsulfanyl)benzonitrile 4-[Bis(fluoranyl)methylsulfanyl]benzenecarbonitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5F2NS
InChI InChI=1S/C8H5F2NS/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-4,8H
InChIKey KMKCSCUIOKJJKC-UHFFFAOYSA-N
Molecular Weight 185.192 g/mol
SMILES c1(SC(F)F)ccc(cc1)C#N
SPLASH splash10-000i-0900000000-7780344848c27adfbe2d
Source of Spectrum ACI-54-5753/SMS26-29
Wiley ID 1761206