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5-Methyl-4-phenyldithio-2-tolyl-2,5-diazabicyclo[2.2.2[octan-3,6-dione
SpectraBase Compound ID f3628gMPQg
InChI InChI=1S/C20H20N2O2S2/c1-12-10-13(2)18(26-25-14-6-4-3-5-7-14)11-17(12)22-16-9-8-15(20(22)24)21-19(16)23/h3-7,10-11,15-16H,8-9H2,1-2H3,(H,21,23)/t15-,16-/m0/s1
InChIKey BFUQGZDDJTVLOV-HOTGVXAUSA-N
Mol Weight 384.51 g/mol
Molecular Formula C20H20N2O2S2
Exact Mass 384.09662 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9VFrfusZz1p
Name 5-Methyl-4-phenyldithio-2-tolyl-2,5-diazabicyclo[2.2.2[octan-3,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N2O2S2
InChI InChI=1S/C20H20N2O2S2/c1-12-10-13(2)18(26-25-14-6-4-3-5-7-14)11-17(12)22-16-9-8-15(20(22)24)21-19(16)23/h3-7,10-11,15-16H,8-9H2,1-2H3,(H,21,23)/t15-,16-/m0/s1
InChIKey BFUQGZDDJTVLOV-HOTGVXAUSA-N
Molecular Weight 384.512 g/mol
SMILES N1[C@@]2(C(N([C@](C1=O)(CC2)[H])c1cc(SSc2ccccc2)c(cc1C)C)=O)[H]
SPLASH splash10-003r-0079000000-97b38552e245daf03f9b
Source of Spectrum F-47-9267-8
Synonyms 2-[2,4-dimethyl-5-(phenyldisulfanyl)phenyl]-2,5-diazabicyclo[2.2.2]octane-3,6-dione
Wiley ID 1361454