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2- Bromopropionic acid, tridecyl ester

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

2- Bromopropionic acid, tridecyl ester
SpectraBase Compound ID 5EPYNd0r1aN
InChI InChI=1S/C16H31BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-16(18)15(2)17/h15H,3-14H2,1-2H3
InChIKey VLVJDJNDVAPFNI-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 LusyiWinTZJ
Name 2- Bromopropionic acid, tridecyl 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/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-16(18)15(2)17/h15H,3-14H2,1-2H3
InChIKey VLVJDJNDVAPFNI-UHFFFAOYSA-N
Molecular Weight 335.326 g/mol
SMILES C(=O)(OCCCCCCCCCCCCC)C(C)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962409