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Carbonic acid, 2-chloroethyl 4-cyanophenyl ester

View entire compound with spectra: 1 FTIR

Carbonic acid, 2-chloroethyl 4-cyanophenyl ester
SpectraBase Compound ID 9332G4EUG2q
InChI InChI=1S/C10H8ClNO3/c11-5-6-14-10(13)15-9-3-1-8(7-12)2-4-9/h1-4H,5-6H2
InChIKey YWQMXAKUZKIOQC-UHFFFAOYSA-N
Mol Weight 225.63 g/mol
Molecular Formula C10H8ClNO3
Exact Mass 225.019271 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KhfRBpkjbJ9
Name Carbonic acid, 2-chloroethyl 4-cyanophenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 225.019270819 u
Formula C10H8ClNO3
InChI InChI=1S/C10H8ClNO3/c11-5-6-14-10(13)15-9-3-1-8(7-12)2-4-9/h1-4H,5-6H2
InChIKey YWQMXAKUZKIOQC-UHFFFAOYSA-N
Molecular Weight 225.631 g/mol
SMILES C(COC(=O)OC1=CC=C(C#N)C=C1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95118