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4-(o-tolylsulfonyl)benzonitrile

View entire compound with spectra: 1 MS (GC)

4-(o-tolylsulfonyl)benzonitrile
SpectraBase Compound ID d3LBgMiCt2
InChI InChI=1S/C14H11NO2S/c1-11-4-2-3-5-14(11)18(16,17)13-8-6-12(10-15)7-9-13/h2-9H,1H3
InChIKey QIGAIVUCASBHMM-UHFFFAOYSA-N
Mol Weight 257.31 g/mol
Molecular Formula C14H11NO2S
Exact Mass 257.05105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 819Chx7wkHn
Name 4-(o-tolylsulfonyl)benzonitrile
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 257.051049770 u
Formula C14H11NO2S
InChI InChI=1S/C14H11NO2S/c1-11-4-2-3-5-14(11)18(16,17)13-8-6-12(10-15)7-9-13/h2-9H,1H3
InChIKey QIGAIVUCASBHMM-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201711104
Molecular Weight 257.307 g/mol
Quality 332
Reported Formula C14H11O2NS
SMILES C1=CC(=CC=C1C#N)S(C1=CC=CC=C1C)(=O)=O
SPLASH splash10-052u-3790000000-28e114154d3d3260f6ad
Source of Spectrum ACI-57-SM14-6g (DOI: 10.1002/anie.201711104)
Wiley ID 1891178