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(+/-)-Bis[1-(phenylmethyl)butyl] 2,2'-[(Methylimino)bis(propane-3,1-diylcarbamoyl)]dibenzoate
SpectraBase Compound ID IrFwms5WmyA
InChI InChI=1S/C45H55N3O6/c1-4-18-36(32-34-20-8-6-9-21-34)53-44(51)40-26-14-12-24-38(40)42(49)46-28-16-30-48(3)31-17-29-47-43(50)39-25-13-15-27-41(39)45(52)54-37(19-5-2)33-35-22-10-7-11-23-35/h6-15,20-27,36-37H,4-5,16-19,28-33H2,1-3H3,(H,46,49)(H,47,50)
InChIKey DFSRLVHQBVFDGE-UHFFFAOYSA-N
Mol Weight 733.9 g/mol
Molecular Formula C45H55N3O6
Exact Mass 733.409086 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FxmYLRwNCnc
Name (+/-)-Bis[1-(phenylmethyl)butyl] 2,2'-[(Methylimino)bis(propane-3,1-diylcarbamoyl)]dibenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H55N3O6
InChI InChI=1S/C45H55N3O6/c1-4-18-36(32-34-20-8-6-9-21-34)53-44(51)40-26-14-12-24-38(40)42(49)46-28-16-30-48(3)31-17-29-47-43(50)39-25-13-15-27-41(39)45(52)54-37(19-5-2)33-35-22-10-7-11-23-35/h6-15,20-27,36-37H,4-5,16-19,28-33H2,1-3H3,(H,46,49)(H,47,50)
InChIKey DFSRLVHQBVFDGE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cbdv.200890217
Molecular Weight 733.950 g/mol
SMILES N(C(c1ccccc1C(OC(Cc1ccccc1)CCC)=O)=O)CCCN(CCCNC(c1ccccc1C(OC(Cc1ccccc1)CCC)=O)=O)C
SPLASH splash10-0006-9000000000-6499299d5e6d5e5ac010
Source of Spectrum CBD-5-2635-(+/_)_2a
Synonyms bis(1-phenylpentan-2-yl) 2,2'-((((methylazanediyl)bis(propane-3,1-diyl))bis(azanediyl))bis(carbonyl))dibenzoate
Wiley ID 1790358