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1,2,4-Oxadiazol-5-amine, 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(2-chlorophenyl)methyl]-
SpectraBase Compound ID BAP9xoHkjaG
InChI InChI=1S/C11H9ClN6O2/c12-7-4-2-1-3-6(7)5-14-11-15-10(18-19-11)8-9(13)17-20-16-8/h1-4H,5H2,(H2,13,17)(H,14,15,18)
InChIKey JDCUJYCELWGSBK-UHFFFAOYSA-N
Mol Weight 292.69 g/mol
Molecular Formula C11H9ClN6O2
Exact Mass 292.047551 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID hHbTorAwyK
Name 1,2,4-Oxadiazol-5-amine, 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(2-chlorophenyl)methyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.047551252 u
Formula C11H9ClN6O2
InChI InChI=1S/C11H9ClN6O2/c12-7-4-2-1-3-6(7)5-14-11-15-10(18-19-11)8-9(13)17-20-16-8/h1-4H,5H2,(H2,13,17)(H,14,15,18)
InChIKey JDCUJYCELWGSBK-UHFFFAOYSA-N
Molecular Weight 292.686 g/mol
SMILES C1(=NON=C1N)C1=NOC(=N1)NCC1=C(C=CC=C1)Cl