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N-Cyclohexyl 4-(4-fluorobenzyl)-2-phenyl-5-oxo-(R/S)-6-methyl-4,5,6,7-tetrahydro-1H-1,4-diazepine-3-carboxamide
SpectraBase Compound ID 8JO6q5R1bhY
InChI InChI=1S/C26H30FN3O2/c1-18-16-28-23(20-8-4-2-5-9-20)24(25(31)29-22-10-6-3-7-11-22)30(26(18)32)17-19-12-14-21(27)15-13-19/h2,4-5,8-9,12-15,18,22,28H,3,6-7,10-11,16-17H2,1H3,(H,29,31)/t18-/m1/s1
InChIKey NEKIEUYKWJEPCB-GOSISDBHSA-N
Mol Weight 435.54 g/mol
Molecular Formula C26H30FN3O2
Exact Mass 435.232205 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2UdUpRbMue7
Name N-Cyclohexyl 4-(4-fluorobenzyl)-2-phenyl-5-oxo-(R/S)-6-methyl-4,5,6,7-tetrahydro-1H-1,4-diazepine-3-carboxamide
Comments Less than 3 mono-isotopic peaks
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Formula C26H30FN3O2
InChI InChI=1S/C26H30FN3O2/c1-18-16-28-23(20-8-4-2-5-9-20)24(25(31)29-22-10-6-3-7-11-22)30(26(18)32)17-19-12-14-21(27)15-13-19/h2,4-5,8-9,12-15,18,22,28H,3,6-7,10-11,16-17H2,1H3,(H,29,31)/t18-/m1/s1
InChIKey NEKIEUYKWJEPCB-GOSISDBHSA-N
Molecular Weight 435.543 g/mol
SMILES N1C[C@](C(N(C(C(NC2CCCCC2)=O)=C1c1ccccc1)Cc1ccc(cc1)F)=O)(C)[H]
SPLASH splash10-004r-0008900000-e1896769c69ede385656
Source of Spectrum F-66-6786-6g
Wiley ID 1684063