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Diethyl N,N'-[2-(4'-phenylbutyl-N'"-ethoxycarbonyl-3'-aminopropyl)propane-1,3-diyl]-bis[N-(4"-phenylbutyl)]carbamate
SpectraBase Compound ID G7tjMk5dPg4
InChI InChI=1S/C45H65N3O6/c1-4-52-43(49)46-33-32-41(31-17-16-28-38-22-10-7-11-23-38)42(36-47(44(50)53-5-2)34-20-18-29-39-24-12-8-13-25-39)37-48(45(51)54-6-3)35-21-19-30-40-26-14-9-15-27-40/h7-15,22-27,41-42H,4-6,16-21,28-37H2,1-3H3,(H,46,49)
InChIKey JSQXNXCHRKFZOJ-UHFFFAOYSA-N
Mol Weight 744.0 g/mol
Molecular Formula C45H65N3O6
Exact Mass 743.487337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ECNis3EvnZ
Name Diethyl N,N'-[2-(4'-phenylbutyl-N'"-ethoxycarbonyl-3'-aminopropyl)propane-1,3-diyl]-bis[N-(4"-phenylbutyl)]carbamate
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Formula C45H65N3O6
InChI InChI=1S/C45H65N3O6/c1-4-52-43(49)46-33-32-41(31-17-16-28-38-22-10-7-11-23-38)42(36-47(44(50)53-5-2)34-20-18-29-39-24-12-8-13-25-39)37-48(45(51)54-6-3)35-21-19-30-40-26-14-9-15-27-40/h7-15,22-27,41-42H,4-6,16-21,28-37H2,1-3H3,(H,46,49)
InChIKey JSQXNXCHRKFZOJ-UHFFFAOYSA-N
Molecular Weight 744.030 g/mol
SMILES N(C(=O)OCC)CCC(C(CN(C(=O)OCC)CCCCc1ccccc1)CN(C(=O)OCC)CCCCc1ccccc1)CCCCc1ccccc1
SPLASH splash10-000x-9364121800-4f0e820bdef79b9df7f6
Source of Spectrum D8-324-304-0
Synonyms Ethyl 3-{2-[(ethoxycarbonyl)amino]ethyl}-2-{[(ethoxycarbonyl)(4-phenylbutyl)amino]methyl}-7-phenylheptyl(4-phenylbutyl)carbamate
Wiley ID 1514135