2-(4-Bromophenyl)-2-oxoethyl 7-[(phenylsulfonyl)amino]heptanoate

SpectraBase Compound ID	1jLeJQpU7Md
InChI	InChI=1S/C21H24BrNO5S/c22-18-13-11-17(12-14-18)20(24)16-28-21(25)10-6-1-2-7-15-23-29(26,27)19-8-4-3-5-9-19/h3-5,8-9,11-14,23H,1-2,6-7,10,15-16H2
InChIKey	KRMMHTXKPOEKSI-UHFFFAOYSA-N Google Search
Mol Weight	482.39 g/mol
Molecular Formula	C21H24BrNO5S
Exact Mass	481.055857 g/mol

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SpectraBase Spectrum ID	Hapqjc3Ek7j
Name	heptanoic acid, 7-[(phenylsulfonyl)amino]-, 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	481.055857046 u
Formula	C21H24BrNO5S
InChI	InChI=1S/C21H24BrNO5S/c22-18-13-11-17(12-14-18)20(24)16-28-21(25)10-6-1-2-7-15-23-29(26,27)19-8-4-3-5-9-19/h3-5,8-9,11-14,23H,1-2,6-7,10,15-16H2
InChIKey	KRMMHTXKPOEKSI-UHFFFAOYSA-N
Molecular Weight	482.389 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_17494
Solvent	DMSO-d6
Source	Vendor ID: NMR/10322514; Lab Info: LP; Lab Number: LP-2101795