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2-Amino-1-(cyclohexylideneamino)-1-azaspiro[4.5]dec-2-ene-3,4,4-tricarbonitrile
SpectraBase Compound ID 1EXi5v1D5Q8
InChI InChI=1S/C18H22N6/c19-11-15-16(22)24(23-14-7-3-1-4-8-14)18(9-5-2-6-10-18)17(15,12-20)13-21/h1-10,22H2
InChIKey BLYHUWSVSOTLLA-UHFFFAOYSA-N
Mol Weight 322.42 g/mol
Molecular Formula C18H22N6
Exact Mass 322.190595 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ISzEViJsNJL
Name 2-Amino-1-(cyclohexylideneamino)-1-azaspiro[4.5]dec-2-ene-3,4,4-tricarbonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.190594732 u
Formula C18H22N6
InChI InChI=1S/C18H22N6/c19-11-15-16(22)24(23-14-7-3-1-4-8-14)18(9-5-2-6-10-18)17(15,12-20)13-21/h1-10,22H2
InChIKey BLYHUWSVSOTLLA-UHFFFAOYSA-N
Molecular Weight 322.416 g/mol
SMILES C1CCC(CC1)=NN1C(=C(C(C11CCCCC1)(C#N)C#N)C#N)N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.881955