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N1,N1'-((1H-pyrazole-3,5-diyl)bis(methylene))bis(N2,N2-diethyl-N1-(pyridin-2-ylmethyl)ethane-1,2-diamine)
SpectraBase Compound ID 9jCY4spEOZd
InChI InChI=1S/C29H46N8/c1-5-34(6-2)17-19-36(22-26-13-9-11-15-30-26)24-28-21-29(33-32-28)25-37(20-18-35(7-3)8-4)23-27-14-10-12-16-31-27/h9-16,21H,5-8,17-20,22-25H2,1-4H3,(H,32,33)
InChIKey CEQHVSZATCLPDD-UHFFFAOYSA-N
Mol Weight 506.7 g/mol
Molecular Formula C29H46N8
Exact Mass 506.384544 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9qd6U5bhhbc
Name N1,N1'-(1H-Pyrazole-3,5-diyl)bis(methylene)bis(N2,N2-diethyl-N1-(pyridin-2-ylmethyl)ethane-1,2-diamine)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 506.384543513 u
Formula C29H46N8
InChI InChI=1S/C29H46N8/c1-5-34(6-2)17-19-36(22-26-13-9-11-15-30-26)24-28-21-29(33-32-28)25-37(20-18-35(7-3)8-4)23-27-14-10-12-16-31-27/h9-16,21H,5-8,17-20,22-25H2,1-4H3,(H,32,33)
InChIKey CEQHVSZATCLPDD-UHFFFAOYSA-N
Molecular Weight 506.743 g/mol
SMILES C=1(C=C(NN1)CN(CCN(CC)CC)CC=1C=CC=CN1)CN(CC=1C=CC=CN1)CCN(CC)CC