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4'-Chloro-4-cyano-chalcone

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

4'-Chloro-4-cyano-chalcone
SpectraBase Compound ID 65wIRlzUTSs
InChI InChI=1S/C16H10ClNO/c17-15-8-6-14(7-9-15)16(19)10-5-12-1-3-13(11-18)4-2-12/h1-10H/b10-5+
InChIKey KSPUPHDQJGCQCN-BJMVGYQFSA-N
Mol Weight 267.71 g/mol
Molecular Formula C16H10ClNO
Exact Mass 267.045092 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9ggirdThzEX
Name Trans-p-(3-(p-chlorophenyl)-3-oxo-1-propenyl)benzonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 267.045091645 u
Formula C16H10ClNO
InChI InChI=1S/C16H10ClNO/c17-15-8-6-14(7-9-15)16(19)10-5-12-1-3-13(11-18)4-2-12/h1-10H/b10-5+
InChIKey KSPUPHDQJGCQCN-BJMVGYQFSA-N
SMILES C1(=CC=C(C=C1)C#N)\C=C\C(C1=CC=C(Cl)C=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.880588