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(anti)-8-methylthio-2-(4'-nitrophenylsulphonyl)-2-azabicyclo[3.2.1]octa-3,6-diene
SpectraBase Compound ID 8S0JoGr3ddS
InChI InChI=1S/C14H14N2O4S2/c1-21-14-10-2-7-13(14)15(9-8-10)22(19,20)12-5-3-11(4-6-12)16(17)18/h2-10,13-14H,1H3
InChIKey OCDCUUMCYRWKNU-UHFFFAOYSA-N
Mol Weight 338.4 g/mol
Molecular Formula C14H14N2O4S2
Exact Mass 338.039499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DOUHcVJkm6
Name (anti)-8-methylthio-2-(4'-nitrophenylsulphonyl)-2-azabicyclo[3.2.1]octa-3,6-diene
Alternate Name(s) 8-(methylsulfanyl)-2-[(4-nitrophenyl)sulfonyl]-2-azabicyclo[3.2.1]octa-3,6-diene Methyl 2-[(4-nitrophenyl)sulfonyl]-2-azabicyclo[3.2.1]octa-3,6-dien-8-yl sulfide
CAS Registry Number 136708-81-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14N2O4S2
InChI InChI=1S/C14H14N2O4S2/c1-21-14-10-2-7-13(14)15(9-8-10)22(19,20)12-5-3-11(4-6-12)16(17)18/h2-10,13-14H,1H3
InChIKey OCDCUUMCYRWKNU-UHFFFAOYSA-N
Molecular Weight 338.396 g/mol
SMILES C12N(S(c3ccc(N(=O)=O)cc3)(=O)=O)C=CC(C=C1)C2SC
SPLASH splash10-0udi-0911000000-2b357224cebbe0ec72cc
Source of Spectrum K-124-2893-2
Wiley ID 1333428