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4-(5-{3-[(4-tert-butylphenoxy)methyl]phenyl}-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine
SpectraBase Compound ID 9dUMaIscYaY
InChI InChI=1S/C21H21N5O3/c1-21(2,3)15-7-9-16(10-8-15)27-12-13-5-4-6-14(11-13)20-23-19(26-28-20)17-18(22)25-29-24-17/h4-11H,12H2,1-3H3,(H2,22,25)
InChIKey YBYVFMPYXCLXSW-UHFFFAOYSA-N
Mol Weight 391.43 g/mol
Molecular Formula C21H21N5O3
Exact Mass 391.16444 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GMFTxSlHKcn
Name 1,2,5-oxadiazol-3-amine, 4-[5-[3-[[4-(1,1-dimethylethyl)phenoxy]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 391.164439553 u
Formula C21H21N5O3
InChI InChI=1S/C21H21N5O3/c1-21(2,3)15-7-9-16(10-8-15)27-12-13-5-4-6-14(11-13)20-23-19(26-28-20)17-18(22)25-29-24-17/h4-11H,12H2,1-3H3,(H2,22,25)
InChIKey YBYVFMPYXCLXSW-UHFFFAOYSA-N
Molecular Weight 391.431 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14486
Solvent DMSO-d6
Source Vendor ID: NMR/10260796; Lab Info: PNA; Lab Number: PNA-NA00139