For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1-Methyl-2-(1-oxo-1-phenylpropan-2-yl)ethane-1,1,2,2-tetracarbonitrile

View entire compound with spectra: 1 FTIR

1-Methyl-2-(1-oxo-1-phenylpropan-2-yl)ethane-1,1,2,2-tetracarbonitrile
SpectraBase Compound ID 8t6OVc1m0i
InChI InChI=1S/C16H12N4O/c1-12(14(21)13-6-4-3-5-7-13)16(10-19,11-20)15(2,8-17)9-18/h3-7,12H,1-2H3
InChIKey WIMULDJDENULRI-UHFFFAOYSA-N
Mol Weight 276.3 g/mol
Molecular Formula C16H12N4O
Exact Mass 276.101111 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3z2gdJjntYQ
Name 1-Methyl-2-(1-oxo-1-phenylpropan-2-yl)ethane-1,1,2,2-tetracarbonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.101111021 u
Formula C16H12N4O
InChI InChI=1S/C16H12N4O/c1-12(14(21)13-6-4-3-5-7-13)16(10-19,11-20)15(2,8-17)9-18/h3-7,12H,1-2H3
InChIKey WIMULDJDENULRI-UHFFFAOYSA-N
SMILES C(C#N)(C(C#N)(C#N)C(C(C1=CC=CC=C1)=O)C)(C#N)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.81127