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2,3,7,8,12,13-Hexacyanotribenzylene
SpectraBase Compound ID BHC1jzEmXbM
InChI InChI=1S/C27H12N6/c28-10-22-4-16-1-17-5-23(11-29)25(13-31)7-19(17)3-21-9-27(15-33)26(14-32)8-20(21)2-18(16)6-24(22)12-30/h4-9H,1-3H2
InChIKey PFWOOQXTLCHARR-UHFFFAOYSA-N
Mol Weight 420.44 g/mol
Molecular Formula C27H12N6
Exact Mass 420.112344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1wGzbs0oChU
Name 2,3,7,8,12,13-Hexacyanotribenzylene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H12N6
InChI InChI=1S/C27H12N6/c28-10-22-4-16-1-17-5-23(11-29)25(13-31)7-19(17)3-21-9-27(15-33)26(14-32)8-20(21)2-18(16)6-24(22)12-30/h4-9H,1-3H2
InChIKey PFWOOQXTLCHARR-UHFFFAOYSA-N
Molecular Weight 420.435 g/mol
SMILES c12c(Cc3c(cc(c(c3)C#N)C#N)Cc3c(C1)cc(c(C#N)c3)C#N)cc(c(c2)C#N)C#N
SPLASH splash10-052f-0089200000-f7912122583159e19b23
Source of Spectrum SO-0-1708-2
Wiley ID 878131