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Benzoic acid, 4-(acetyloxy)-, 4-cyanophenyl ester

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

Benzoic acid, 4-(acetyloxy)-, 4-cyanophenyl ester
SpectraBase Compound ID HPHhpl0uFgJ
InChI InChI=1S/C16H11NO4/c1-11(18)20-14-8-4-13(5-9-14)16(19)21-15-6-2-12(10-17)3-7-15/h2-9H,1H3
InChIKey KWWAJHIPYWRFHM-UHFFFAOYSA-N
Mol Weight 281.27 g/mol
Molecular Formula C16H11NO4
Exact Mass 281.068808 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Fe62CXek8Yq
Name Benzoic acid, 4-(acetyloxy)-, 4-cyanophenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 281.068807834 u
Formula C16H11NO4
InChI InChI=1S/C16H11NO4/c1-11(18)20-14-8-4-13(5-9-14)16(19)21-15-6-2-12(10-17)3-7-15/h2-9H,1H3
InChIKey KWWAJHIPYWRFHM-UHFFFAOYSA-N
SMILES CC(=O)OC1=CC=C(C=C1)C(=O)OC1=CC=C(C=C1)C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.980993