For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2,4-hexadienoic acid, 5-[[[(chloroacetyl)amino]methyl]amino]-2-cyano-3-methyl-, (2E,4E)-
SpectraBase Compound ID QTRU8XKSlG
InChI InChI=1S/C11H14ClN3O3/c1-7(9(5-13)11(17)18)3-8(2)14-6-15-10(16)4-12/h3,14H,4,6H2,1-2H3,(H,15,16)(H,17,18)/b8-3+,9-7+
InChIKey MFUUFDQMIVLLAY-DRXFMOQXSA-N
Mol Weight 271.7 g/mol
Molecular Formula C11H14ClN3O3
Exact Mass 271.072369 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3PDMukKdVpY
Name 2,4-hexadienoic acid, 5-[[[(chloroacetyl)amino]methyl]amino]-2-cyano-3-methyl-, (2E,4E)-
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/C11H14ClN3O3/c1-7(9(5-13)11(17)18)3-8(2)14-6-15-10(16)4-12/h3,14H,4,6H2,1-2H3,(H,15,16)(H,17,18)/b8-3+,9-7+
InChIKey MFUUFDQMIVLLAY-DRXFMOQXSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_4000
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/17241198; Labnumber: 21c5005