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Pseudo-geminal 2,11-Dithia[3,3](2,5)pyrimidinophanes
SpectraBase Compound ID Fu601zi1Lkq
InChI InChI=1S/C12H12N4S2/c1-9-2-14-11(13-1)7-18-8-12-15-3-10(4-16-12)6-17-5-9/h1-4H,5-8H2
InChIKey YGIXFPBMCVQTJW-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 DmpbGfAER8X
Name Pseudo-geminal 2,11-Dithia[3,3](2,5)pyrimidinophanes
CAS Registry Number 126504-94-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N4S2
InChI InChI=1S/C12H12N4S2/c1-9-2-14-11(13-1)7-18-8-12-15-3-10(4-16-12)6-17-5-9/h1-4H,5-8H2
InChIKey YGIXFPBMCVQTJW-UHFFFAOYSA-N
Molecular Weight 276.376 g/mol
SMILES c12ncc(cn2)CSCc2cnc(nc2)CSC1
SPLASH splash10-056r-0980000000-866c7816b0d21cd35901
Source of Spectrum K-123-1889-16
Synonyms 3,10-dithia-6,14,15,18-tetraazatricyclo[10.2.2.2(5,8)]octadeca-1(14),5,7,12,15,17-hexaene
Wiley ID 1279629