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(anti)-8-methylthio-2-(4'-methoxyphenylsulphonyl)-2-azabicyclo[3.2.1]octa-3,6-diene
SpectraBase Compound ID 7IsQflx5Y7C
InChI InChI=1S/C15H17NO3S2/c1-19-12-4-6-13(7-5-12)21(17,18)16-10-9-11-3-8-14(16)15(11)20-2/h3-11,14-15H,1-2H3
InChIKey CQEQMGNUQYCJCK-UHFFFAOYSA-N
Mol Weight 323.43 g/mol
Molecular Formula C15H17NO3S2
Exact Mass 323.064986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hr3MIgky1Lj
Name (anti)-8-methylthio-2-(4'-methoxyphenylsulphonyl)-2-azabicyclo[3.2.1]octa-3,6-diene
CAS Registry Number 136708-76-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NO3S2
InChI InChI=1S/C15H17NO3S2/c1-19-12-4-6-13(7-5-12)21(17,18)16-10-9-11-3-8-14(16)15(11)20-2/h3-11,14-15H,1-2H3
InChIKey CQEQMGNUQYCJCK-UHFFFAOYSA-N
Molecular Weight 323.425 g/mol
SMILES C12N(S(c3ccc(cc3)OC)(=O)=O)C=CC(C=C1)C2SC
SPLASH splash10-0uk9-0912000000-8a45b373b4affc7f3c85
Source of Spectrum K-124-2893-2
Synonyms 2-[(4-methoxyphenyl)sulfonyl]-8-(methylsulfanyl)-2-azabicyclo[3.2.1]octa-3,6-diene Methyl 4-{[8-(methylsulfanyl)-2-azabicyclo[3.2.1]octa-3,6-dien-2-yl]sulfonyl}phenyl ether
Wiley ID 1322320