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2,6-Dioxo-4-methyl-4-phenyl-3,5-piperidinedicarbonitrile

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 1 MS (GC)

2,6-Dioxo-4-methyl-4-phenyl-3,5-piperidinedicarbonitrile
SpectraBase Compound ID GYCUCPLGFeI
InChI InChI=1S/C14H11N3O2/c1-14(9-5-3-2-4-6-9)10(7-15)12(18)17-13(19)11(14)8-16/h2-6,10-11H,1H3,(H,17,18,19)
InChIKey DUHIKGWFSCWEBA-UHFFFAOYSA-N
Mol Weight 253.26 g/mol
Molecular Formula C14H11N3O2
Exact Mass 253.085127 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID JHC0hdrKWZD
Name 2,6-Dioxo-4-methyl-4-phenyl-3,5-piperidinedicarbonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.085126604 u
Formula C14H11N3O2
InChI InChI=1S/C14H11N3O2/c1-14(9-5-3-2-4-6-9)10(7-15)12(18)17-13(19)11(14)8-16/h2-6,10-11H,1H3,(H,17,18,19)
InChIKey DUHIKGWFSCWEBA-UHFFFAOYSA-N
Molecular Weight 253.261 g/mol
SMILES N1C(C(C(C(C1=O)C#N)(C=1C=CC=CC1)C)C#N)=O
Spectrum/Structure Validation Score (Raman) 0.959624