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4-Amino-N-[2-[4-nitro-2-(trifluoromethyl)anilino]ethyl]-1,2,5-oxadiazole-3-carboxamide
SpectraBase Compound ID No8FiqvXGX
InChI InChI=1S/C12H11F3N6O4/c13-12(14,15)7-5-6(21(23)24)1-2-8(7)17-3-4-18-11(22)9-10(16)20-25-19-9/h1-2,5,17H,3-4H2,(H2,16,20)(H,18,22)
InChIKey KDLCIAFPVGPOLT-UHFFFAOYSA-N
Mol Weight 360.25 g/mol
Molecular Formula C12H11F3N6O4
Exact Mass 360.079387 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EJU3Rd3aC7
Name 1,2,5-oxadiazole-3-carboxamide, 4-amino-N-[2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]ethyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.079387343 u
Formula C12H11F3N6O4
InChI InChI=1S/C12H11F3N6O4/c13-12(14,15)7-5-6(21(23)24)1-2-8(7)17-3-4-18-11(22)9-10(16)20-25-19-9/h1-2,5,17H,3-4H2,(H2,16,20)(H,18,22)
InChIKey KDLCIAFPVGPOLT-UHFFFAOYSA-N
Molecular Weight 360.253 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12192
Solvent DMSO-d6
Source Vendor ID: NMR/10271678; Lab Info: LP; Lab Number: LP-2501378