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4-(5-{4-[(2-bromophenoxy)methyl]phenyl}-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine
SpectraBase Compound ID ACNqeJz0Ejy
InChI InChI=1S/C17H12BrN5O3/c18-12-3-1-2-4-13(12)24-9-10-5-7-11(8-6-10)17-20-16(23-25-17)14-15(19)22-26-21-14/h1-8H,9H2,(H2,19,22)
InChIKey MFKDETVJZLBIAJ-UHFFFAOYSA-N
Mol Weight 414.22 g/mol
Molecular Formula C17H12BrN5O3
Exact Mass 413.012352 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6r1lTkS20JS
Name 1,2,5-oxadiazol-3-amine, 4-[5-[4-[(2-bromophenoxy)methyl]phenyl]-1,2,4-oxadiazol-3-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 413.012352263 u
Formula C17H12BrN5O3
InChI InChI=1S/C17H12BrN5O3/c18-12-3-1-2-4-13(12)24-9-10-5-7-11(8-6-10)17-20-16(23-25-17)14-15(19)22-26-21-14/h1-8H,9H2,(H2,19,22)
InChIKey MFKDETVJZLBIAJ-UHFFFAOYSA-N
Molecular Weight 414.219 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13470
Solvent DMSO-d6
Source Vendor ID: NMR/10260360; Lab Info: PNA; Lab Number: PNA-NA00098