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5-N-Hexyl-1-N-heptylideneimino-2-amino-3,4,4-tricyano-4,5-dihydropyrrole

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5-N-Hexyl-1-N-heptylideneimino-2-amino-3,4,4-tricyano-4,5-dihydropyrrole
SpectraBase Compound ID 49AB5gidKg4
InChI InChI=1S/C20H30N6/c1-3-5-7-9-11-13-25-26-18(12-10-8-6-4-2)20(15-22,16-23)17(14-21)19(26)24/h13,18H,3-12,24H2,1-2H3/b25-13+
InChIKey CKDRSRXHPVDELV-DHRITJCHSA-N
Mol Weight 354.5 g/mol
Molecular Formula C20H30N6
Exact Mass 354.253195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6fMfi2RSfKm
Name 5-N-Hexyl-1-N-heptylideneimino-2-amino-3,4,4-tricyano-4,5-dihydropyrrole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.253194990 u
Formula C20H30N6
InChI InChI=1S/C20H30N6/c1-3-5-7-9-11-13-25-26-18(12-10-8-6-4-2)20(15-22,16-23)17(14-21)19(26)24/h13,18H,3-12,24H2,1-2H3/b25-13+
InChIKey CKDRSRXHPVDELV-DHRITJCHSA-N
Molecular Weight 354.502 g/mol
SMILES C=1(C(C(CCCCCC)N(C1N)\N=C\CCCCCC)(C#N)C#N)C#N