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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Pa5kdAXGAI
Name N,N'-Dibenzyl-N,N'-bis-(4-phenylbutyl)-benzol-1,3-dimethanomin-dihydrogenoxalate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 OC(C(=O)O)=O.c1cc(CN(CCCCc2ccccc2)Cc2ccccc2)cc(c1)CN(CCCCc1ccccc1)Cc1ccccc1.OC(C(=O)O)=O
SPLASH splash10-0002-9300200000-9e62dc85e78620e5d0ba
Source of Spectrum APC-322-813-6
Synonyms N,N'-(1,3-phenylenebis(methylene))bis(N-benzyl-4-phenylbutan-1-amine) dioxalate
Wiley ID 1788561