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

*Links on SpectraBase are not permalinks.
[({[(E)-(1-butyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}acetyl)amino]acetic acid
SpectraBase Compound ID INPgJihYmyK
InChI InChI=1S/C13H18N4O6/c1-2-3-4-17-12(22)8(11(21)16-13(17)23)5-14-6-9(18)15-7-10(19)20/h5,14H,2-4,6-7H2,1H3,(H,15,18)(H,19,20)(H,16,21,23)/b8-5+
InChIKey NMWAAIWCXQNSQM-VMPITWQZSA-N
Mol Weight 326.31 g/mol
Molecular Formula C13H18N4O6
Exact Mass 326.122634 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 5dl9KhbgMKr
Name [({[(E)-(1-butyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}acetyl)amino]acetic acid
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/C13H18N4O6/c1-2-3-4-17-12(22)8(11(21)16-13(17)23)5-14-6-9(18)15-7-10(19)20/h5,14H,2-4,6-7H2,1H3,(H,15,18)(H,19,20)(H,16,21,23)/b8-5+
InChIKey NMWAAIWCXQNSQM-VMPITWQZSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23429
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: D40390; Labnumber: NC98SP32-1590; SBI_ID: SBI-023433
Synonyms [({[(1-butyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}acetyl)amino]acetic acid
Temperature 318 °C