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4H-1,2,4-triazol-4-amine, N-[(E)-[5-(3-chloro-4-fluorophenyl)-2-furanyl]methylidene]-
SpectraBase Compound ID DP3igI1rYYI
InChI InChI=1S/C13H8ClFN4O/c14-11-5-9(1-3-12(11)15)13-4-2-10(20-13)6-18-19-7-16-17-8-19/h1-8H/b18-6+
InChIKey IPDFUZDXUJXGQX-NGYBGAFCSA-N
Mol Weight 290.69 g/mol
Molecular Formula C13H8ClFN4O
Exact Mass 290.037067 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 56RQfyBvI00
Name 4H-1,2,4-triazol-4-amine, N-[(E)-[5-(3-chloro-4-fluorophenyl)-2-furanyl]methylidene]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.037066756 u
Formula C13H8ClFN4O
InChI InChI=1S/C13H8ClFN4O/c14-11-5-9(1-3-12(11)15)13-4-2-10(20-13)6-18-19-7-16-17-8-19/h1-8H/b18-6+
InChIKey IPDFUZDXUJXGQX-NGYBGAFCSA-N
Molecular Weight 290.685 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7317
Solvent DMSO-d6
Source Vendor ID: NMR/10222847; Lab Info: SAD; Lab Number: SAD-DAS1469