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4,6-Dimethyl-2,9-dithia-17,18-diaza-[2.2.2[(1,3)(1,3)(1,3)cyclophan-17-ene
SpectraBase Compound ID BYYxvwB598k
InChI InChI=1S/C22H20N2S2/c1-15-9-10-21-16(2)22(15)26-14-18-6-4-8-20(12-18)24-23-19-7-3-5-17(11-19)13-25-21/h3-12H,13-14H2,1-2H3/b24-23-
InChIKey BDGJVIXIPJQUJV-VHXPQNKSSA-N
Mol Weight 376.54 g/mol
Molecular Formula C22H20N2S2
Exact Mass 376.106791 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5clGNywhhHz
Name 4,6-Dimethyl-2,9-dithia-17,18-diaza-[2.2.2[(1,3)(1,3)(1,3)cyclophan-17-ene
Alternate Name(s) 12,23-dimethyl-10,16-dithia-2,3-diazatetracyclo[16.3.1.1(4,8).1(11,15)]tetracosa-1(22),2,4(24),5,7,11(23),12,14,18,20-decaene
CAS Registry Number 125686-48-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20N2S2
InChI InChI=1S/C22H20N2S2/c1-15-9-10-21-16(2)22(15)26-14-18-6-4-8-20(12-18)24-23-19-7-3-5-17(11-19)13-25-21/h3-12H,13-14H2,1-2H3/b24-23-
InChIKey BDGJVIXIPJQUJV-VHXPQNKSSA-N
Molecular Weight 376.536 g/mol
SMILES c12SCc3cc(\N=N/c4cc(CSc(c2C)ccc1C)ccc4)ccc3
SPLASH splash10-004i-3903000000-a5f70ddcebff761f3996
Source of Spectrum K-123-1401-16
Wiley ID 1357828