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6-(3-Bromophenyl)-1-methyl-3-tosyl-3-azabicyclo[4.1.0]heptan-5-one
SpectraBase Compound ID 9oaVA0EQ2Wi
InChI InChI=1S/C20H20BrNO3S/c1-14-6-8-17(9-7-14)26(24,25)22-11-18(23)20(12-19(20,2)13-22)15-4-3-5-16(21)10-15/h3-10H,11-13H2,1-2H3
InChIKey KCOHMMYOWWGDPQ-UHFFFAOYSA-N
Mol Weight 434.35 g/mol
Molecular Formula C20H20BrNO3S
Exact Mass 433.034728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4mnZnZWb5xp
Name 6-(3-Bromophenyl)-1-methyl-3-tosyl-3-azabicyclo[4.1.0]heptan-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20BrNO3S
InChI InChI=1S/C20H20BrNO3S/c1-14-6-8-17(9-7-14)26(24,25)22-11-18(23)20(12-19(20,2)13-22)15-4-3-5-16(21)10-15/h3-10H,11-13H2,1-2H3
InChIKey KCOHMMYOWWGDPQ-UHFFFAOYSA-N
Molecular Weight 434.348 g/mol
SMILES C12(C)C(C2)(C(=O)CN(S(c2ccc(cc2)C)(=O)=O)C1)c1cccc(c1)Br
SPLASH splash10-002r-0951300000-ef674db05dd2008b5b22
Source of Spectrum KD-51-12819/SM13-2j
Wiley ID 1806452