For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Methyl 2-bromo-hexadecanoate

View entire compound with spectra: 1 NMR, and 1 FTIR

Methyl 2-bromo-hexadecanoate
SpectraBase Compound ID 8LtmHMF8R0
InChI InChI=1S/C17H33BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(18)17(19)20-2/h16H,3-15H2,1-2H3
InChIKey QTHPWZRRQHIAHV-UHFFFAOYSA-N
Mol Weight 349.4 g/mol
Molecular Formula C17H33BrO2
Exact Mass 348.166393 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LUiVs9Xr21P
Name Methyl 2-bromo-hexadecanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.166393301 u
Formula C17H33BrO2
InChI InChI=1S/C17H33BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(18)17(19)20-2/h16H,3-15H2,1-2H3
InChIKey QTHPWZRRQHIAHV-UHFFFAOYSA-N
Molecular Weight 349.353 g/mol
SMILES C(CCCCCCCCCC(C(=O)OC)Br)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.826425