valine, N-[(phenylmethoxy)carbonyl]-, 2-(4-bromophenyl)-2-oxoethyl ester

SpectraBase Compound ID	6tftNE40g7h
InChI	InChI=1S/C21H22BrNO5/c1-14(2)19(23-21(26)28-12-15-6-4-3-5-7-15)20(25)27-13-18(24)16-8-10-17(22)11-9-16/h3-11,14,19H,12-13H2,1-2H3,(H,23,26)
InChIKey	ZYIOHOAJWZVEBL-UHFFFAOYSA-N Google Search
Mol Weight	448.31 g/mol
Molecular Formula	C21H22BrNO5
Exact Mass	447.068136 g/mol

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SpectraBase Spectrum ID	FjRCvh0MCHp
Name	valine, N-[(phenylmethoxy)carbonyl]-, 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/C21H22BrNO5/c1-14(2)19(23-21(26)28-12-15-6-4-3-5-7-15)20(25)27-13-18(24)16-8-10-17(22)11-9-16/h3-11,14,19H,12-13H2,1-2H3,(H,23,26)
InChIKey	ZYIOHOAJWZVEBL-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_3517_3021
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: NMR/11242878; Labnumber: LP-2110798