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alanine, N-[(1E)-1-methyl-3-oxo-1-butenyl]-

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alanine, N-[(1E)-1-methyl-3-oxo-1-butenyl]-
SpectraBase Compound ID I5igS08dCuK
InChI InChI=1S/C8H13NO3/c1-5(4-6(2)10)9-7(3)8(11)12/h4,7,9H,1-3H3,(H,11,12)/b5-4+
InChIKey MDFSMLVYMGRDQL-SNAWJCMRSA-N
Mol Weight 171.2 g/mol
Molecular Formula C8H13NO3
Exact Mass 171.089543 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KunCrjxHVKI
Name alanine, N-[(1E)-1-methyl-3-oxo-1-butenyl]-
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/C8H13NO3/c1-5(4-6(2)10)9-7(3)8(11)12/h4,7,9H,1-3H3,(H,11,12)/b5-4+
InChIKey MDFSMLVYMGRDQL-SNAWJCMRSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_3163
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/10228980