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(R,R)-(+)-1,1'-(1,4-Butanediyl)bis(5-methyl-4-phenyl-1,5-diazacyclooctan-2-one)

View entire compound with spectra: 1 MS (GC)

(R,R)-(+)-1,1'-(1,4-Butanediyl)bis(5-methyl-4-phenyl-1,5-diazacyclooctan-2-one)
SpectraBase Compound ID 8bStjP9i0kn
InChI InChI=1S/C30H42N4O2/c1-31-17-11-21-33(29(35)23-27(31)25-13-5-3-6-14-25)19-9-10-20-34-22-12-18-32(2)28(24-30(34)36)26-15-7-4-8-16-26/h3-8,13-16,27-28H,9-12,17-24H2,1-2H3/t27-,28-/m1/s1
InChIKey LNCIXDIFZNXBDP-VSGBNLITSA-N
Mol Weight 490.7 g/mol
Molecular Formula C30H42N4O2
Exact Mass 490.330777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hoj1AsiXxce
Name (R,R)-(+)-1,1'-(1,4-Butanediyl)bis(5-methyl-4-phenyl-1,5-diazacyclooctan-2-one)
Alternate Name(s) (4R)-5-methyl-1-[4-((4R)-5-methyl-2-oxo-4-phenylhexahydro-1,5-diazocin-1(2H)-yl)butyl]-4-phenylhexahydro-1,5-diazocin-2(1H)-one
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Formula C30H42N4O2
InChI InChI=1S/C30H42N4O2/c1-31-17-11-21-33(29(35)23-27(31)25-13-5-3-6-14-25)19-9-10-20-34-22-12-18-32(2)28(24-30(34)36)26-15-7-4-8-16-26/h3-8,13-16,27-28H,9-12,17-24H2,1-2H3/t27-,28-/m1/s1
InChIKey LNCIXDIFZNXBDP-VSGBNLITSA-N
Molecular Weight 490.692 g/mol
SMILES C1C(N(CCCN([C@]1(c1ccccc1)[H])C)CCCCN1C(C[C@](c2ccccc2)(N(CCC1)C)[H])=O)=O
SPLASH splash10-052f-0511900000-1b093a300b10b22cc08b
Source of Spectrum AJ-68-3128-1
Wiley ID 773319