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Phenyl cyanide, 2,4,6-triisopropyl-

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Phenyl cyanide, 2,4,6-triisopropyl-
SpectraBase Compound ID 4BBZutSwIuF
InChI InChI=1S/C16H23N/c1-10(2)13-7-14(11(3)4)16(9-17)15(8-13)12(5)6/h7-8,10-12H,1-6H3
InChIKey PIEUKNZBODJFIS-UHFFFAOYSA-N
Mol Weight 229.37 g/mol
Molecular Formula C16H23N
Exact Mass 229.18305 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ca7cUJNqBg2
Name Phenyl cyanide, 2,4,6-triisopropyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 229.183049745 u
Formula C16H23N
InChI InChI=1S/C16H23N/c1-10(2)13-7-14(11(3)4)16(9-17)15(8-13)12(5)6/h7-8,10-12H,1-6H3
InChIKey PIEUKNZBODJFIS-UHFFFAOYSA-N
Molecular Weight 229.367 g/mol
SMILES C1=C(C(=C(C=C1C(C)C)C(C)C)C#N)C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942758