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N,N'-Dibenzyl-N,N'-bis-(4-phenylbutyl)-benzol-1,3-dimethanomin-dihydrogenoxalate

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

N,N'-Dibenzyl-N,N'-bis-(4-phenylbutyl)-benzol-1,3-dimethanomin-dihydrogenoxalate
SpectraBase Compound ID AMmyfKnKYBx
InChI InChI=1S/C42H48N2.2C2H2O4/c1-5-18-37(19-6-1)22-13-15-30-43(33-39-24-9-3-10-25-39)35-41-28-17-29-42(32-41)36-44(34-40-26-11-4-12-27-40)31-16-14-23-38-20-7-2-8-21-38;2*3-1(4)2(5)6/h1-12,17-21,24-29,32H,13-16,22-23,30-31,33-36H2;2*(H,3,4)(H,5,6)
InChIKey VHQLLCLULBKHHJ-UHFFFAOYSA-N
Mol Weight 760.93 g/mol
Molecular Formula C46H52N2O8
Exact Mass 760.372367 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AQEhhNZ4eDZ
Name N,N'-Dibenzyl-N,N'-bis-(4-phenylbutyl)-benzol-1,3-dimethanomin-dihydrogenoxalate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 760.372366634 u
Formula C46H52N2O8
InChI InChI=1S/C42H48N2.2C2H2O4/c1-5-18-37(19-6-1)22-13-15-30-43(33-39-24-9-3-10-25-39)35-41-28-17-29-42(32-41)36-44(34-40-26-11-4-12-27-40)31-16-14-23-38-20-7-2-8-21-38;2*3-1(4)2(5)6/h1-12,17-21,24-29,32H,13-16,22-23,30-31,33-36H2;2*(H,3,4)(H,5,6)
InChIKey VHQLLCLULBKHHJ-UHFFFAOYSA-N
Molecular Weight 760.928 g/mol
SMILES C(O)(=O)C(=O)O.C=1C=C(CN(CCCCC=2C=CC=CC2)CC2=CC=CC=C2)C=C(C1)CN(CCCCC=1C=CC=CC1)CC1=CC=CC=C1.C(O)(=O)C(=O)O