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

*Links on SpectraBase are not permalinks.

Triethyl(2-hydroxyethyl)ammonium bromide, xanthene-9-carboxylate

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

Triethyl(2-hydroxyethyl)ammonium bromide, xanthene-9-carboxylate
SpectraBase Compound ID 8s5BykiRhuN
InChI InChI=1S/C20H23NO3.C2H5Br/c1-3-21(4-2)13-14-23-20(22)19-15-9-5-7-11-17(15)24-18-12-8-6-10-16(18)19;1-2-3/h5-12,19H,3-4,13-14H2,1-2H3;2H2,1H3
InChIKey LURMJFWYJISWRL-UHFFFAOYSA-N
Mol Weight 434.37 g/mol
Molecular Formula C22H28BrNO3
Exact Mass 433.125257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 1j4KIZLk8uC
Name Triethyl(2-hydroxyethyl)ammonium bromide, xanthene-9-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 433.125256763 u
Formula C22H28BrNO3
InChI InChI=1S/C20H23NO3.C2H5Br/c1-3-21(4-2)13-14-23-20(22)19-15-9-5-7-11-17(15)24-18-12-8-6-10-16(18)19;1-2-3/h5-12,19H,3-4,13-14H2,1-2H3;2H2,1H3
InChIKey LURMJFWYJISWRL-UHFFFAOYSA-N
Molecular Weight 434.374 g/mol
SMILES CCBr.c1ccc2c(c1)Oc1c(C2C(=O)OCCN(CC)CC)cccc1