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Diethyl 4-cyano-[1,1'-biphenyl]-2,4'-dicarboxylate

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

Diethyl 4-cyano-[1,1'-biphenyl]-2,4'-dicarboxylate
SpectraBase Compound ID 4lyEA1TLItP
InChI InChI=1S/C19H17NO4/c1-3-23-18(21)15-8-6-14(7-9-15)16-10-5-13(12-20)11-17(16)19(22)24-4-2/h5-11H,3-4H2,1-2H3
InChIKey BOMOSPSDWSIHCV-UHFFFAOYSA-N
Mol Weight 323.35 g/mol
Molecular Formula C19H17NO4
Exact Mass 323.115758 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5qZxFPQYbDD
Name Diethyl 4-cyano-[1,1'-biphenyl]-2,4'-dicarboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.115758027 u
Formula C19H17NO4
InChI InChI=1S/C19H17NO4/c1-3-23-18(21)15-8-6-14(7-9-15)16-10-5-13(12-20)11-17(16)19(22)24-4-2/h5-11H,3-4H2,1-2H3
InChIKey BOMOSPSDWSIHCV-UHFFFAOYSA-N
Molecular Weight 323.348 g/mol
SMILES C=1C(C#N)=CC=C(C=2C=CC(C(OCC)=O)=CC2)C1C(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.9437