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6-Bromohexanoic acid, undec-2-enyl ester

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6-Bromohexanoic acid, undec-2-enyl ester
SpectraBase Compound ID 8pic82ANbZs
InChI InChI=1S/C17H31BrO2/c1-2-3-4-5-6-7-8-9-13-16-20-17(19)14-11-10-12-15-18/h9,13H,2-8,10-12,14-16H2,1H3/b13-9+
InChIKey FXIDHPHTLPRIER-UKTHLTGXSA-N
Mol Weight 347.34 g/mol
Molecular Formula C17H31BrO2
Exact Mass 346.150743 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BML25yxjZ5g
Name 6-Bromohexanoic acid, undec-2-enyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.150743236 u
Formula C17H31BrO2
InChI InChI=1S/C17H31BrO2/c1-2-3-4-5-6-7-8-9-13-16-20-17(19)14-11-10-12-15-18/h9,13H,2-8,10-12,14-16H2,1H3/b13-9+
InChIKey FXIDHPHTLPRIER-UKTHLTGXSA-N
Molecular Weight 347.337 g/mol
SMILES C(CCCCC(=O)OC\C=C\CCCCCCCC)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.98173