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6-(2-Bromophenyl)-4-methylhex-4-enoic acid ethyl ester

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

6-(2-Bromophenyl)-4-methylhex-4-enoic acid ethyl ester
SpectraBase Compound ID Cm5dxvCL7qs
InChI InChI=1S/C15H19BrO2/c1-3-18-15(17)11-9-12(2)8-10-13-6-4-5-7-14(13)16/h4-8H,3,9-11H2,1-2H3/b12-8+
InChIKey BJZYGKVKDNWMDW-XYOKQWHBSA-N
Mol Weight 311.22 g/mol
Molecular Formula C15H19BrO2
Exact Mass 310.056843 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID B61yrafDZDa
Name 6-(2-Bromophenyl)-4-methylhex-4-enoic acid ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.056842850 u
Formula C15H19BrO2
InChI InChI=1S/C15H19BrO2/c1-3-18-15(17)11-9-12(2)8-10-13-6-4-5-7-14(13)16/h4-8H,3,9-11H2,1-2H3/b12-8+
InChIKey BJZYGKVKDNWMDW-XYOKQWHBSA-N
Molecular Weight 311.219 g/mol
SMILES C(CC\C(=C\CC=1C(=CC=CC1)Br)C)(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950656