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6-Bromohexanoic acid, 2-ethylcyclohexyl ester

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6-Bromohexanoic acid, 2-ethylcyclohexyl ester
SpectraBase Compound ID 4BdZaBjpXDE
InChI InChI=1S/C14H25BrO2/c1-2-12-8-5-6-9-13(12)17-14(16)10-4-3-7-11-15/h12-13H,2-11H2,1H3
InChIKey LBLWUGLFBGMMEF-UHFFFAOYSA-N
Mol Weight 305.26 g/mol
Molecular Formula C14H25BrO2
Exact Mass 304.103793 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3wX6xx3mnLh
Name 6-Bromohexanoic acid, 2-ethylcyclohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.103793043 u
Formula C14H25BrO2
InChI InChI=1S/C14H25BrO2/c1-2-12-8-5-6-9-13(12)17-14(16)10-4-3-7-11-15/h12-13H,2-11H2,1H3
InChIKey LBLWUGLFBGMMEF-UHFFFAOYSA-N
Molecular Weight 305.256 g/mol
SMILES C1(CCCCC1CC)OC(CCCCCBr)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.823912