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1,2,5-oxadiazol-3-amine, 4-[1-[[3-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-yl]-
SpectraBase Compound ID JA7tHpOJbtj
InChI InChI=1S/C17H12F3N5O/c18-17(19,20)11-5-3-4-10(8-11)9-25-13-7-2-1-6-12(13)22-16(25)14-15(21)24-26-23-14/h1-8H,9H2,(H2,21,24)
InChIKey JDOHQJAEXBDMOS-UHFFFAOYSA-N
Mol Weight 359.31 g/mol
Molecular Formula C17H12F3N5O
Exact Mass 359.099395 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JibicI1ZKT0
Name 1,2,5-oxadiazol-3-amine, 4-[1-[[3-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-yl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.099394514 u
Formula C17H12F3N5O
InChI InChI=1S/C17H12F3N5O/c18-17(19,20)11-5-3-4-10(8-11)9-25-13-7-2-1-6-12(13)22-16(25)14-15(21)24-26-23-14/h1-8H,9H2,(H2,21,24)
InChIKey JDOHQJAEXBDMOS-UHFFFAOYSA-N
Molecular Weight 359.312 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5513
Solvent DMSO-d6
Source Vendor ID: NMR/9301327; Lab Info: SAD; Lab Number: SAD-DAST966