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N-{3-[({[(Z)-amino(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino}oxy)carbonyl]phenyl}-2,2,2-trifluoroacetamide
SpectraBase Compound ID LWo8fWsNUWM
InChI InChI=1S/C12H9F3N6O4/c13-12(14,15)11(23)18-6-3-1-2-5(4-6)10(22)24-20-8(16)7-9(17)21-25-19-7/h1-4H,(H2,16,20)(H2,17,21)(H,18,23)
InChIKey MKGSMLCWQOPZIM-UHFFFAOYSA-N
Mol Weight 358.24 g/mol
Molecular Formula C12H9F3N6O4
Exact Mass 358.063737 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4hhIFVBRdLW
Name N-{3-[({[(Z)-amino(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino}oxy)carbonyl]phenyl}-2,2,2-trifluoroacetamide
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/C12H9F3N6O4/c13-12(14,15)11(23)18-6-3-1-2-5(4-6)10(22)24-20-8(16)7-9(17)21-25-19-7/h1-4H,(H2,16,20)(H2,17,21)(H,18,23)
InChIKey MKGSMLCWQOPZIM-UHFFFAOYSA-N
NMR Offset 18.0216
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_2887
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: ZI/7017090; Labnumber: L-19/0004511; IOH_ID: IOH-002888
Synonyms N-{3-[({[amino(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino}oxy)carbonyl]phenyl}-2,2,2-trifluoroacetamide
Temperature 303 °C