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3-Cyanophenyl methyl sulfone
SpectraBase Compound ID CWxc5Yef6oc
InChI InChI=1S/C8H7NO2S/c1-12(10,11)8-4-2-3-7(5-8)6-9/h2-5H,1H3
InChIKey VWPJXEYDYJQMBC-UHFFFAOYSA-N
Mol Weight 181.21 g/mol
Molecular Formula C8H7NO2S
Exact Mass 181.01975 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IQKR392hRWn
Name 3-Cyanophenyl Methyl Sulfone
Alternate Name(s) 3-(Methylsulfonyl)benzonitrile 3-Methylsulfonylbenzonitrile 3-Methylsulfonylbenzenecarbonitrile
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Formula C8H7NO2S
InChI InChI=1S/C8H7NO2S/c1-12(10,11)8-4-2-3-7(5-8)6-9/h2-5H,1H3
InChIKey VWPJXEYDYJQMBC-UHFFFAOYSA-N
Molecular Weight 181.209 g/mol
SMILES c1(S(=O)(=O)C)cc(C#N)ccc1
SPLASH splash10-0uxr-0900000000-a86d0ec0fa61947869e5
Source of Spectrum F5-6-759-D--3
Wiley ID 1733411