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(E)-2,3-Bis(2,2-dimethylpropyl)butenedinitrile

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(E)-2,3-Bis(2,2-dimethylpropyl)butenedinitrile
SpectraBase Compound ID 6EKnmbJVNKR
InChI InChI=1S/C14H22N2/c1-13(2,3)7-11(9-15)12(10-16)8-14(4,5)6/h7-8H2,1-6H3/b12-11+
InChIKey NQMBPMOCYSAAEV-VAWYXSNFSA-N
Mol Weight 218.34 g/mol
Molecular Formula C14H22N2
Exact Mass 218.178299 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HvMgTHIAXpk
Name (E)-2,3-bis(2,2-Dimethylpropyl)butenedinitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.178298716 u
Formula C14H22N2
InChI InChI=1S/C14H22N2/c1-13(2,3)7-11(9-15)12(10-16)8-14(4,5)6/h7-8H2,1-6H3/b12-11+
InChIKey NQMBPMOCYSAAEV-VAWYXSNFSA-N
Molecular Weight 218.344 g/mol
SMILES C(\C(=C\(C#N)CC(C)(C)C)CC(C)(C)C)#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958373