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1,3-butanedione, 2-[amino(4-amino-1,2,5-oxadiazol-3-yl)methylene]-1-phenyl-, (2Z)-
SpectraBase Compound ID 4hwlNkujGl1
InChI InChI=1S/C13H12N4O3/c1-7(18)9(10(14)11-13(15)17-20-16-11)12(19)8-5-3-2-4-6-8/h2-6H,14H2,1H3,(H2,15,17)/b10-9-
InChIKey RWBITWFBKPYBFN-KTKRTIGZSA-N
Mol Weight 272.26 g/mol
Molecular Formula C13H12N4O3
Exact Mass 272.09094 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID sbfE4tPLch
Name 1,3-butanedione, 2-[amino(4-amino-1,2,5-oxadiazol-3-yl)methylene]-1-phenyl-, (2Z)-
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/C13H12N4O3/c1-7(18)9(10(14)11-13(15)17-20-16-11)12(19)8-5-3-2-4-6-8/h2-6H,14H2,1H3,(H2,15,17)/b10-9-
InChIKey RWBITWFBKPYBFN-KTKRTIGZSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_CB_8313_1155
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/8300556; Labnumber: L-48
Temperature 297 °C