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Hexyl (E)-cinnamate

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

Hexyl (E)-cinnamate
SpectraBase Compound ID 9RkQhGijki9
InChI InChI=1S/C15H20O2/c1-2-3-4-8-13-17-15(16)12-11-14-9-6-5-7-10-14/h5-7,9-12H,2-4,8,13H2,1H3/b12-11+
InChIKey UYWPFEKMTYDVQM-VAWYXSNFSA-N
Mol Weight 232.32 g/mol
Molecular Formula C15H20O2
Exact Mass 232.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I0a8VRBK3ZI
Name Hexyl (E)-cinnamate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.146329882 u
Formula C15H20O2
InChI InChI=1S/C15H20O2/c1-2-3-4-8-13-17-15(16)12-11-14-9-6-5-7-10-14/h5-7,9-12H,2-4,8,13H2,1H3/b12-11+
InChIKey UYWPFEKMTYDVQM-VAWYXSNFSA-N
Molecular Weight 232.323 g/mol
SMILES C(\C=C\C=1C=CC=CC1)(=O)OCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.917982