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Pseudo-geminal 2,11-Dithia[3.3](2,5)pyrazinophane
SpectraBase Compound ID Cy1Luq6djoo
InChI InChI=1S/C12H12N4S2/c1-9-5-17-7-11-3-16-12(4-15-11)8-18-6-10(13-1)2-14-9/h1-4H,5-8H2
InChIKey GICMIKRTHJSPGP-UHFFFAOYSA-N
Mol Weight 276.38 g/mol
Molecular Formula C12H12N4S2
Exact Mass 276.050339 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D0wwaTCgb0Y
Name pseudo-geminal-2,11-dithia-[3,3](2,5)pyrazinophane
CAS Registry Number 123624-97-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N4S2
InChI InChI=1S/C12H12N4S2/c1-9-5-17-7-11-3-16-12(4-15-11)8-18-6-10(13-1)2-14-9/h1-4H,5-8H2
InChIKey GICMIKRTHJSPGP-UHFFFAOYSA-N
Molecular Weight 276.376 g/mol
SMILES c12ncc(nc2)CSCc2ncc(nc2)CSC1
SPLASH splash10-000i-1910000000-967f1b1f8f9106fa7040
Source of Spectrum K-123-531-25
Synonyms pseudo-ortho-2,11-dithia-[3,3](2,5)pyrazinophane 3,10-dithia-6,13,15,17-tetraazatricyclo[10.2.2.2(5,8)]octadeca-1(14),5,7,12,15,17-hexaene
Wiley ID 1279628