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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 GmDrOixdxZJ
Name Pseudo-ortho 2,11-Dithia[3.3](2,5)pyrazinophane
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
Literature Reference DOI 10.1002/cber.19901230319
Molecular Weight 276.376 g/mol
SMILES c1nc2cnc1CSCc1ncc(nc1)CSC2
SPLASH splash10-000i-1910000000-f6293e33efaa9f78c142
Source of Spectrum K-123-531-25
Synonyms 3,7-Dithia-1,5(2,5)-dipyrazinacyclooctaphane
Wiley ID 1792087