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4-Methyl-2-(3-methylbut-2-enylideneamino)pent-3-enenitrile
SpectraBase Compound ID 3VYbxi5sRNl
InChI InChI=1S/C11H16N2/c1-9(2)5-6-13-11(8-12)7-10(3)4/h5-7,11H,1-4H3/b13-6+
InChIKey UTQFPQWHBTXFSA-AWNIVKPZSA-N
Mol Weight 176.26 g/mol
Molecular Formula C11H16N2
Exact Mass 176.131349 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3fvdTyptFHs
Name 4-Methyl-2-(3-methylbut-2-enylideneamino)pent-3-enenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 176.131348523 u
Formula C11H16N2
InChI InChI=1S/C11H16N2/c1-9(2)5-6-13-11(8-12)7-10(3)4/h5-7,11H,1-4H3/b13-6+
InChIKey UTQFPQWHBTXFSA-AWNIVKPZSA-N
Molecular Weight 176.263 g/mol
SMILES CC(=CC(\N=C\C=C(C)C)C#N)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.982998