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2'-Ethylhexyl 4-bromocinnamate

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

2'-Ethylhexyl 4-bromocinnamate
SpectraBase Compound ID 39OVUbXpdZk
InChI InChI=1S/C17H23BrO2/c1-3-5-6-14(4-2)13-20-17(19)12-9-15-7-10-16(18)11-8-15/h7-12,14H,3-6,13H2,1-2H3/b12-9+
InChIKey XHHLNDYBYPXBCT-FMIVXFBMSA-N
Mol Weight 339.27 g/mol
Molecular Formula C17H23BrO2
Exact Mass 338.088143 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 849mZtDyxGD
Name 2'-Ethylhexyl 4-bromocinnamate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.088142979 u
Formula C17H23BrO2
InChI InChI=1S/C17H23BrO2/c1-3-5-6-14(4-2)13-20-17(19)12-9-15-7-10-16(18)11-8-15/h7-12,14H,3-6,13H2,1-2H3/b12-9+
InChIKey XHHLNDYBYPXBCT-FMIVXFBMSA-N
Molecular Weight 339.273 g/mol
SMILES C(\C=C\C=1C=CC(=CC1)Br)(=O)OCC(CC)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932368