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

*Links on SpectraBase are not permalinks.

2-(4-Bromophenyl)-2-oxoethyl 4-[(1-hydroxycyclohexyl)ethynyl]benzoate

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

2-(4-Bromophenyl)-2-oxoethyl 4-[(1-hydroxycyclohexyl)ethynyl]benzoate
SpectraBase Compound ID CtWuTKiXvGg
InChI InChI=1S/C23H21BrO4/c24-20-10-8-18(9-11-20)21(25)16-28-22(26)19-6-4-17(5-7-19)12-15-23(27)13-2-1-3-14-23/h4-11,27H,1-3,13-14,16H2
InChIKey MSTIFNHXQYWWQQ-UHFFFAOYSA-N
Mol Weight 441.32 g/mol
Molecular Formula C23H21BrO4
Exact Mass 440.062322 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 4a4YjhsNgRp
Name benzoic acid, 4-[(1-hydroxycyclohexyl)ethynyl]-, 2-(4-bromophenyl)-2-oxoethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.062322152 u
Formula C23H21BrO4
InChI InChI=1S/C23H21BrO4/c24-20-10-8-18(9-11-20)21(25)16-28-22(26)19-6-4-17(5-7-19)12-15-23(27)13-2-1-3-14-23/h4-11,27H,1-3,13-14,16H2
InChIKey MSTIFNHXQYWWQQ-UHFFFAOYSA-N
Molecular Weight 441.321 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7264
Solvent DMSO-d6
Source Vendor ID: NMR/10230463; Lab Info: RAI; Lab Number: RAI-0003007