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Ethyl 2-cyano-2-(p-tolyl)-2-phenylacetate

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

Ethyl 2-cyano-2-(p-tolyl)-2-phenylacetate
SpectraBase Compound ID D75GKlKjBi
InChI InChI=1S/C18H17NO2/c1-3-21-17(20)18(13-19,15-7-5-4-6-8-15)16-11-9-14(2)10-12-16/h4-12H,3H2,1-2H3
InChIKey PGKFVEIKAVKDAI-UHFFFAOYSA-N
Mol Weight 279.34 g/mol
Molecular Formula C18H17NO2
Exact Mass 279.125929 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F13iuFFMLOm
Name Ethyl 2-cyano-2-(p-tolyl)-2-phenylacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.125928789 u
Formula C18H17NO2
InChI InChI=1S/C18H17NO2/c1-3-21-17(20)18(13-19,15-7-5-4-6-8-15)16-11-9-14(2)10-12-16/h4-12H,3H2,1-2H3
InChIKey PGKFVEIKAVKDAI-UHFFFAOYSA-N
SMILES C(C(=O)OCC)(C#N)(C=1C=CC(=CC1)C)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.824685