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Pentadecanoic acid, 15-bromo-, methyl ester

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

Pentadecanoic acid, 15-bromo-, methyl ester
SpectraBase Compound ID 67DgUhHCacf
InChI InChI=1S/C16H31BrO2/c1-19-16(18)14-12-10-8-6-4-2-3-5-7-9-11-13-15-17/h2-15H2,1H3
InChIKey BVQSDPDEVQSPMW-UHFFFAOYSA-N
Mol Weight 335.33 g/mol
Molecular Formula C16H31BrO2
Exact Mass 334.150743 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C9USB9ig8uf
Name Pentadecanoic acid, 15-bromo-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.150743236 u
Formula C16H31BrO2
InChI InChI=1S/C16H31BrO2/c1-19-16(18)14-12-10-8-6-4-2-3-5-7-9-11-13-15-17/h2-15H2,1H3
InChIKey BVQSDPDEVQSPMW-UHFFFAOYSA-N
Molecular Weight 335.326 g/mol
SMILES C(=O)(CCCCCCCCCCCCCCBr)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.815189