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(anti)-8-methylthio-2-methylsulphonyl-2-azabicyclo[3.2.1]octa-3,6-diene
SpectraBase Compound ID 7QMvgAhpZdj
InChI InChI=1S/C9H13NO2S2/c1-13-9-7-3-4-8(9)10(6-5-7)14(2,11)12/h3-9H,1-2H3
InChIKey YZFAVQQJPWQTNL-UHFFFAOYSA-N
Mol Weight 231.33 g/mol
Molecular Formula C9H13NO2S2
Exact Mass 231.038771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ewt0WfI68RS
Name (anti)-8-methylthio-2-methylsulphonyl-2-azabicyclo[3.2.1]octa-3,6-diene
Alternate Name(s) 8-(methylsulfanyl)-2-(methylsulfonyl)-2-azabicyclo[3.2.1]octa-3,6-diene Methyl 2-(methylsulfonyl)-2-azabicyclo[3.2.1]octa-3,6-dien-8-yl sulfide
CAS Registry Number 136708-75-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13NO2S2
InChI InChI=1S/C9H13NO2S2/c1-13-9-7-3-4-8(9)10(6-5-7)14(2,11)12/h3-9H,1-2H3
InChIKey YZFAVQQJPWQTNL-UHFFFAOYSA-N
Molecular Weight 231.328 g/mol
SMILES CS(N1C2C=CC(C=C1)C2SC)(=O)=O
SPLASH splash10-0udi-1920000000-13c086b27fd84a654ed5
Source of Spectrum K-124-2893-2
Wiley ID 1232496