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2-(Hexamethyleneiminobenzyl-5-(p-tolyl)-1,3,4-oxadiazole

View entire compound with spectra: 1 NMR, and 2 MS (GC)

2-(Hexamethyleneiminobenzyl-5-(p-tolyl)-1,3,4-oxadiazole
SpectraBase Compound ID 7x3pJKVEjqi
InChI InChI=1S/C22H25N3O/c1-17-11-13-19(14-12-17)21-23-24-22(26-21)20(18-9-5-4-6-10-18)25-15-7-2-3-8-16-25/h4-6,9-14,20H,2-3,7-8,15-16H2,1H3
InChIKey LIRZCVWICQXUIB-UHFFFAOYSA-N
Mol Weight 347.46 g/mol
Molecular Formula C22H25N3O
Exact Mass 347.199762 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EupgK1zYYst
Name 2-(Hexamethyleneiminobenzyl-5-(p-tolyl)-1,3,4-oxadiazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.199762436 u
Formula C22H25N3O
InChI InChI=1S/C22H25N3O/c1-17-11-13-19(14-12-17)21-23-24-22(26-21)20(18-9-5-4-6-10-18)25-15-7-2-3-8-16-25/h4-6,9-14,20H,2-3,7-8,15-16H2,1H3
InChIKey LIRZCVWICQXUIB-UHFFFAOYSA-N
Molecular Weight 347.462 g/mol
SMILES C=1(OC(=NN1)C(C1=CC=CC=C1)N1CCCCCC1)C1=CC=C(C=C1)C