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(anti)-8-methylthio-2-(4'-chlorophenylsulphonyl)-2-azabicyclo[3.2.1]octa-3,6-diene
SpectraBase Compound ID AAUXe0L9Clq
InChI InChI=1S/C14H14ClNO2S2/c1-19-14-10-2-7-13(14)16(9-8-10)20(17,18)12-5-3-11(15)4-6-12/h2-10,13-14H,1H3
InChIKey NYFTZMJAFIQGJX-UHFFFAOYSA-N
Mol Weight 327.84 g/mol
Molecular Formula C14H14ClNO2S2
Exact Mass 327.015449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A4n9KNDf1jE
Name (anti)-8-methylthio-2-(4'-chlorophenylsulphonyl)-2-azabicyclo[3.2.1]octa-3,6-diene
Alternate Name(s) 2-[(4-chlorophenyl)sulfonyl]-2-azabicyclo[3.2.1]octa-3,6-dien-8-yl methyl sulfide 2-[(4-chlorophenyl)sulfonyl]-8-(methylsulfanyl)-2-azabicyclo[3.2.1]octa-3,6-diene
CAS Registry Number 136708-79-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14ClNO2S2
InChI InChI=1S/C14H14ClNO2S2/c1-19-14-10-2-7-13(14)16(9-8-10)20(17,18)12-5-3-11(15)4-6-12/h2-10,13-14H,1H3
InChIKey NYFTZMJAFIQGJX-UHFFFAOYSA-N
Molecular Weight 327.844 g/mol
SMILES C12N(S(c3ccc(cc3)Cl)(=O)=O)C=CC(C=C1)C2SC
SPLASH splash10-0ufr-0912000000-11ac90239b3626cbbc26
Source of Spectrum K-124-2893-2
Wiley ID 1325373