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N-(4-Cyanohexyl)phthalimide

View entire compound with spectra: 1 NMR, and 1 FTIR

N-(4-Cyanohexyl)phthalimide
SpectraBase Compound ID 94G7vJw28Id
InChI InChI=1S/C15H16N2O2/c1-2-11(10-16)6-5-9-17-14(18)12-7-3-4-8-13(12)15(17)19/h3-4,7-8,11H,2,5-6,9H2,1H3
InChIKey DJCAOHAAEITFHM-UHFFFAOYSA-N
Mol Weight 256.3 g/mol
Molecular Formula C15H16N2O2
Exact Mass 256.121178 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DUGqBW4QsOQ
Name N-(4-Cyanohexyl)phthalimide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.121177761 u
Formula C15H16N2O2
InChI InChI=1S/C15H16N2O2/c1-2-11(10-16)6-5-9-17-14(18)12-7-3-4-8-13(12)15(17)19/h3-4,7-8,11H,2,5-6,9H2,1H3
InChIKey DJCAOHAAEITFHM-UHFFFAOYSA-N
Molecular Weight 256.305 g/mol
SMILES C12=C(C=CC=C2)C(=O)N(C1=O)CCCC(C#N)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.886496