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2,11-dithia-[3,3](2,6)pyrazinophane
SpectraBase Compound ID 2F2VgfzPkot
InChI InChI=1S/C12H12N4S2/c1-9-5-17-7-11-3-14-4-12(16-11)8-18-6-10(15-9)2-13-1/h1-4H,5-8H2
InChIKey KDSWFAYHDIGQHF-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 Hq8D8SFsrbO
Name 2,11-dithia-[3,3](2,6)pyrazinophane
CAS Registry Number 123624-96-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N4S2
InChI InChI=1S/C12H12N4S2/c1-9-5-17-7-11-3-14-4-12(16-11)8-18-6-10(15-9)2-13-1/h1-4H,5-8H2
InChIKey KDSWFAYHDIGQHF-UHFFFAOYSA-N
Molecular Weight 276.376 g/mol
SMILES c12nc(CSCc3cncc(CSC2)n3)cnc1
SPLASH splash10-004r-0690000000-87318b071f80de4d4d3f
Source of Spectrum K-123-531-24
Synonyms 3,11-dithia-7,15,17,18-tetraazatricyclo[11.3.1.1(5,9)]octadeca-1(17),5(18),6,8,13,15-hexaene
Wiley ID 1279626