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(anti)-8-methylthio-2-(4'-methylphenylsulphonyl)-2-azabicyclo[3.2.1]octa-3,6-diene
SpectraBase Compound ID 40wGSEyFWR4
InChI InChI=1S/C15H17NO2S2/c1-11-3-6-13(7-4-11)20(17,18)16-10-9-12-5-8-14(16)15(12)19-2/h3-10,12,14-15H,1-2H3
InChIKey AVTRLDCLWNMCOC-UHFFFAOYSA-N
Mol Weight 307.43 g/mol
Molecular Formula C15H17NO2S2
Exact Mass 307.070071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8pG0i9CwLpZ
Name (anti)-8-methylthio-2-(4'-methylphenylsulphonyl)-2-azabicyclo[3.2.1]octa-3,6-diene
CAS Registry Number 136708-77-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NO2S2
InChI InChI=1S/C15H17NO2S2/c1-11-3-6-13(7-4-11)20(17,18)16-10-9-12-5-8-14(16)15(12)19-2/h3-10,12,14-15H,1-2H3
InChIKey AVTRLDCLWNMCOC-UHFFFAOYSA-N
Molecular Weight 307.426 g/mol
SMILES C12N(S(c3ccc(cc3)C)(=O)=O)C=CC(C=C1)C2SC
SPLASH splash10-0udi-0921000000-9e1ab0a2cae8c4e88b87
Source of Spectrum K-124-2893-2
Synonyms 2-[(4-methylphenyl)sulfonyl]-8-(methylsulfanyl)-2-azabicyclo[3.2.1]octa-3,6-diene Methyl 2-[(4-methylphenyl)sulfonyl]-2-azabicyclo[3.2.1]octa-3,6-dien-8-yl sulfide
Wiley ID 1308867