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benzoic acid, 4-(hexyloxy)-, 2-(4-bromophenyl)-2-oxoethyl ester

View entire compound with spectra: 1 NMR

benzoic acid, 4-(hexyloxy)-, 2-(4-bromophenyl)-2-oxoethyl ester
SpectraBase Compound ID LQsjmxg0aHO
InChI InChI=1S/C21H23BrO4/c1-2-3-4-5-14-25-19-12-8-17(9-13-19)21(24)26-15-20(23)16-6-10-18(22)11-7-16/h6-13H,2-5,14-15H2,1H3
InChIKey NAJGPJFEGKSAGY-UHFFFAOYSA-N
Mol Weight 419.32 g/mol
Molecular Formula C21H23BrO4
Exact Mass 418.077972 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 49MfZwHVnn3
Name benzoic acid, 4-(hexyloxy)-, 2-(4-bromophenyl)-2-oxoethyl ester
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H23BrO4/c1-2-3-4-5-14-25-19-12-8-17(9-13-19)21(24)26-15-20(23)16-6-10-18(22)11-7-16/h6-13H,2-5,14-15H2,1H3
InChIKey NAJGPJFEGKSAGY-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_4727
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: AG-205/5052857; Labnumber: AI-9334; IOH_ID: IOH-011730