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4H-1,2,4-triazol-4-amine, N-[(E)-[3-(2-phenoxyethoxy)phenyl]methylidene]-
SpectraBase Compound ID Ki4JMMZLchs
InChI InChI=1S/C17H16N4O2/c1-2-6-16(7-3-1)22-9-10-23-17-8-4-5-15(11-17)12-20-21-13-18-19-14-21/h1-8,11-14H,9-10H2/b20-12+
InChIKey UWUUPMGADYENFH-UDWIEESQSA-N
Mol Weight 308.34 g/mol
Molecular Formula C17H16N4O2
Exact Mass 308.127326 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1aEb3mDF4VC
Name 4H-1,2,4-triazol-4-amine, N-[(E)-[3-(2-phenoxyethoxy)phenyl]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 308.127325769 u
Formula C17H16N4O2
InChI InChI=1S/C17H16N4O2/c1-2-6-16(7-3-1)22-9-10-23-17-8-4-5-15(11-17)12-20-21-13-18-19-14-21/h1-8,11-14H,9-10H2/b20-12+
InChIKey UWUUPMGADYENFH-UDWIEESQSA-N
Molecular Weight 308.341 g/mol
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4208
Solvent DMSO-d6
Source Vendor ID: NMR/9264516; Lab Info: CEP; Lab Number: CEP-9060443
Temperature 23.85 °C