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(E)-4-Methyl-6-(2,2,3-trimethylcyclopent-3-enyl)hex-4-enenitrile

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(E)-4-Methyl-6-(2,2,3-trimethylcyclopent-3-enyl)hex-4-enenitrile
SpectraBase Compound ID AE58pLvI4LM
InChI InChI=1S/C15H23N/c1-12(6-5-11-16)7-9-14-10-8-13(2)15(14,3)4/h7-8,14H,5-6,9-10H2,1-4H3/b12-7+
InChIKey AZDPQCUMJKQEQL-KPKJPENVSA-N
Mol Weight 217.36 g/mol
Molecular Formula C15H23N
Exact Mass 217.18305 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FxVC5XWriAF
Name (E)-4-Methyl-6-(2,2,3-trimethylcyclopent-3-enyl)hex-4-enenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 217.183049745 u
Formula C15H23N
InChI InChI=1S/C15H23N/c1-12(6-5-11-16)7-9-14-10-8-13(2)15(14,3)4/h7-8,14H,5-6,9-10H2,1-4H3/b12-7+
InChIKey AZDPQCUMJKQEQL-KPKJPENVSA-N
Molecular Weight 217.356 g/mol
SMILES C1(C\C=C\(CCC#N)C)CC=C(C1(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.845972