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Methyl 2-bromotetradecanoate

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

Methyl 2-bromotetradecanoate
SpectraBase Compound ID I0EJ4zI2pta
InChI InChI=1S/C15H29BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-14(16)15(17)18-2/h14H,3-13H2,1-2H3
InChIKey NTDPLPAGWMERRU-UHFFFAOYSA-N
Mol Weight 321.3 g/mol
Molecular Formula C15H29BrO2
Exact Mass 320.135093 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3TLhtFDnk4x
Name Tetradecanoic acid, 2-bromo-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.135093172 u
Formula C15H29BrO2
InChI InChI=1S/C15H29BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-14(16)15(17)18-2/h14H,3-13H2,1-2H3
InChIKey NTDPLPAGWMERRU-UHFFFAOYSA-N
Molecular Weight 321.299 g/mol
SMILES CCCCCCCCCCCCC(Br)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.87983