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1,1'-(4-Methyl-m-phenylene)bis{3-[(4-pyridyl)methyl]urea

View entire compound with spectra: 2 NMR, and 1 FTIR

1,1'-(4-Methyl-m-phenylene)bis{3-[(4-pyridyl)methyl]urea
SpectraBase Compound ID D4aitiVu4Cn
InChI InChI=1S/C21H22N6O2/c1-15-2-3-18(26-20(28)24-13-16-4-8-22-9-5-16)12-19(15)27-21(29)25-14-17-6-10-23-11-7-17/h2-12H,13-14H2,1H3,(H2,24,26,28)(H2,25,27,29)
InChIKey ZIRDAUAVNUIFMB-UHFFFAOYSA-N
Mol Weight 390.45 g/mol
Molecular Formula C21H22N6O2
Exact Mass 390.180424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gr3ayVM6iSV
Name 1,1'-(4-Methyl-m-phenylene)bis{3-[(4-pyridyl)methyl]urea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.180423970 u
Formula C21H22N6O2
InChI InChI=1S/C21H22N6O2/c1-15-2-3-18(26-20(28)24-13-16-4-8-22-9-5-16)12-19(15)27-21(29)25-14-17-6-10-23-11-7-17/h2-12H,13-14H2,1H3,(H2,24,26,28)(H2,25,27,29)
InChIKey ZIRDAUAVNUIFMB-UHFFFAOYSA-N
Molecular Weight 390.447 g/mol
SMILES N(CC1=CC=NC=C1)C(NC=1C=C(NC(NCC=2C=CN=CC2)=O)C(=CC1)C)=O