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4H-1,2,4-triazol-4-amine, 3-azido-N-[(E)-(4-fluorophenyl)methylidene]-
SpectraBase Compound ID FmMX23UWL7B
InChI InChI=1S/C9H6FN7/c10-8-3-1-7(2-4-8)5-13-17-6-12-14-9(17)15-16-11/h1-6H/b13-5+
InChIKey CWDNBRJVKCMEGF-WLRTZDKTSA-N
Mol Weight 231.19 g/mol
Molecular Formula C9H6FN7
Exact Mass 231.066871 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6o80L3n6QKt
Name 4H-1,2,4-triazol-4-amine, 3-azido-N-[(E)-(4-fluorophenyl)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 231.066871384 u
Formula C9H6FN7
InChI InChI=1S/C9H6FN7/c10-8-3-1-7(2-4-8)5-13-17-6-12-14-9(17)15-16-11/h1-6H/b13-5+
InChIKey CWDNBRJVKCMEGF-WLRTZDKTSA-N
Molecular Weight 231.194 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8003
Solvent DMSO-d6
Source Vendor ID: NMR/9234769; Lab Info: LP; Lab Number: LP-3200186
Temperature 29.85 °C