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2-chloro-N-{4-[1-(2-ethylhexyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl}benzamide
SpectraBase Compound ID J6tkj3XvQM2
InChI InChI=1S/C24H26ClN5O2/c1-3-5-10-16(4-2)15-30-20-14-9-8-13-19(20)26-23(30)21-22(29-32-28-21)27-24(31)17-11-6-7-12-18(17)25/h6-9,11-14,16H,3-5,10,15H2,1-2H3,(H,27,29,31)
InChIKey DGRJJKRNMPLLHO-UHFFFAOYSA-N
Mol Weight 451.96 g/mol
Molecular Formula C24H26ClN5O2
Exact Mass 451.177503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hef7SkdWe8s
Name 2-Chloranyl-N-[4-[1-(2-ethylhexyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 451.177502795 u
Formula C24H26ClN5O2
InChI InChI=1S/C24H26ClN5O2/c1-3-5-10-16(4-2)15-30-20-14-9-8-13-19(20)26-23(30)21-22(29-32-28-21)27-24(31)17-11-6-7-12-18(17)25/h6-9,11-14,16H,3-5,10,15H2,1-2H3,(H,27,29,31)
InChIKey DGRJJKRNMPLLHO-UHFFFAOYSA-N
Molecular Weight 451.958 g/mol
SMILES C=1(N(C=2C=CC=CC2N1)CC(CC)CCCC)C=1C(NC(C2=C(Cl)C=CC=C2)=O)=NON1