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Benzoic acid 1-(4-chloro-phenyl)-but-3-enyl ester

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

Benzoic acid 1-(4-chloro-phenyl)-but-3-enyl ester
SpectraBase Compound ID K7CWLshUiQE
InChI InChI=1S/C17H15ClO2/c1-2-6-16(13-9-11-15(18)12-10-13)20-17(19)14-7-4-3-5-8-14/h2-5,7-12,16H,1,6H2
InChIKey HGJRGRUDWWCGHQ-UHFFFAOYSA-N
Mol Weight 286.76 g/mol
Molecular Formula C17H15ClO2
Exact Mass 286.076057 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5QPkFudCWP2
Name Benzoic acid 1-(4-chloro-phenyl)-but-3-enyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.076057421 u
Formula C17H15ClO2
InChI InChI=1S/C17H15ClO2/c1-2-6-16(13-9-11-15(18)12-10-13)20-17(19)14-7-4-3-5-8-14/h2-5,7-12,16H,1,6H2
InChIKey HGJRGRUDWWCGHQ-UHFFFAOYSA-N
SMILES C(OC(C=1C=CC(=CC1)Cl)CC=C)(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965137