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4-(17-Methyl-19,19,20,20-tetracyanocyclobutanyl)[2.2]paracyclophane
SpectraBase Compound ID Hy9LuTSUjf4
InChI InChI=1S/C25H20N4/c1-23(13-24(14-26,15-27)25(23,16-28)17-29)22-12-20-7-6-18-2-4-19(5-3-18)8-10-21(22)11-9-20/h2-5,9,11-12H,6-8,10,13H2,1H3
InChIKey DGYHWAGTBKAULU-UHFFFAOYSA-N
Mol Weight 376.46 g/mol
Molecular Formula C25H20N4
Exact Mass 376.168797 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KRaEOzrTV7J
Name 4-(17-Methyl-19,19,20,20-tetracyanocyclobutanyl)[2.2]paracyclophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20N4
InChI InChI=1S/C25H20N4/c1-23(13-24(14-26,15-27)25(23,16-28)17-29)22-12-20-7-6-18-2-4-19(5-3-18)8-10-21(22)11-9-20/h2-5,9,11-12H,6-8,10,13H2,1H3
InChIKey DGYHWAGTBKAULU-UHFFFAOYSA-N
Molecular Weight 376.463 g/mol
SMILES C1(C(c2c3CCc4ccc(CCc(c2)cc3)cc4)(C)CC1(C#N)C#N)(C#N)C#N
SPLASH splash10-004m-0920000000-11b76ef53d5cc6f80c37
Source of Spectrum K1-2-346-41
Wiley ID 1588176