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

*Links on SpectraBase are not permalinks.

4-Bromobutanoic acid, pentadecyl ester

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

4-Bromobutanoic acid, pentadecyl ester
SpectraBase Compound ID LVnubWdNURU
InChI InChI=1S/C19H37BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-22-19(21)16-15-17-20/h2-18H2,1H3
InChIKey YKNLQFBYHTUSGK-UHFFFAOYSA-N
Mol Weight 377.4 g/mol
Molecular Formula C19H37BrO2
Exact Mass 376.197693 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 ErztTXdqdjy
Name 4-Bromobutanoic acid, pentadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.197693429 u
Formula C19H37BrO2
InChI InChI=1S/C19H37BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-22-19(21)16-15-17-20/h2-18H2,1H3
InChIKey YKNLQFBYHTUSGK-UHFFFAOYSA-N
Molecular Weight 377.407 g/mol
SMILES C(CCC(OCCCCCCCCCCCCCCC)=O)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.916759