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isoleucine, N-[4-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]pentyl]-, methyl ester
SpectraBase Compound ID ExiHSBZS7f
InChI InChI=1S/C21H32N2O5/c1-6-15(4)18(20(25)27-5)23-19(24)17(12-14(2)3)22-21(26)28-13-16-10-8-7-9-11-16/h7-11,14-15,17-18H,6,12-13H2,1-5H3,(H,22,26)(H,23,24)
InChIKey PPNJGOIVBBTPDX-UHFFFAOYSA-N
Mol Weight 392.5 g/mol
Molecular Formula C21H32N2O5
Exact Mass 392.231122 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IOYkqs0nM5Y
Name isoleucine, N-[4-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]pentyl]-, methyl 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/C21H32N2O5/c1-6-15(4)18(20(25)27-5)23-19(24)17(12-14(2)3)22-21(26)28-13-16-10-8-7-9-11-16/h7-11,14-15,17-18H,6,12-13H2,1-5H3,(H,22,26)(H,23,24)
InChIKey PPNJGOIVBBTPDX-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_3707
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/11278093