valine, N-[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]-

SpectraBase Compound ID	1YoLCkHdzqd
InChI	InChI=1S/C16H17ClN2O4/c1-8(2)13(16(21)22)18-15(20)12-9(3)23-19-14(12)10-6-4-5-7-11(10)17/h4-8,13H,1-3H3,(H,18,20)(H,21,22)
InChIKey	PNCIQZQDCYGQGQ-UHFFFAOYSA-N Google Search
Mol Weight	336.78 g/mol
Molecular Formula	C16H17ClN2O4
Exact Mass	336.087685 g/mol

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SpectraBase Spectrum ID	7WlPPGfi87v
Name	valine, N-[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]-
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/C16H17ClN2O4/c1-8(2)13(16(21)22)18-15(20)12-9(3)23-19-14(12)10-6-4-5-7-11(10)17/h4-8,13H,1-3H3,(H,18,20)(H,21,22)
InChIKey	PNCIQZQDCYGQGQ-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB3_9000_5034
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/12218186