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2,8-Dithia-16,17-diaza(9,2)paracyclophane-16-ene
SpectraBase Compound ID 8C3atXLfy9R
InChI InChI=1S/C19H22N2S2/c1-2-12-22-14-16-4-8-18(9-5-16)20-21-19-10-6-17(7-11-19)15-23-13-3-1/h4-11H,1-3,12-15H2/b21-20-
InChIKey IKAPMYIFRAOUEF-MRCUWXFGSA-N
Mol Weight 342.52 g/mol
Molecular Formula C19H22N2S2
Exact Mass 342.122441 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GtzEq5bYOpu
Name 2,8-Dithia-16,17-diaza(9,2)paracyclophane-16-ene
CAS Registry Number 114038-77-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22N2S2
InChI InChI=1S/C19H22N2S2/c1-2-12-22-14-16-4-8-18(9-5-16)20-21-19-10-6-17(7-11-19)15-23-13-3-1/h4-11H,1-3,12-15H2/b21-20-
InChIKey IKAPMYIFRAOUEF-MRCUWXFGSA-N
Molecular Weight 342.519 g/mol
SMILES c12\N=N/c3ccc(CSCCCCCSCc(cc2)cc1)cc3
SPLASH splash10-000x-7933000000-9fe4500a5ce68dd762b6
Source of Spectrum F-43-3794-3
Wiley ID 1336569