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N-Benzyl-7',8'-dichloro-1',2',3',4',4a',5',10',11a'-octahydrospiro[cyclohexane-1,11'-dibenzo[b,e][1,4]diazepine]-4a'-carboxamide
SpectraBase Compound ID FHwDyrWKDag
InChI InChI=1S/C26H31Cl2N3O/c27-19-15-21-22(16-20(19)28)31-26(24(32)29-17-18-9-3-1-4-10-18)14-8-5-11-23(26)25(30-21)12-6-2-7-13-25/h1,3-4,9-10,15-16,23,30-31H,2,5-8,11-14,17H2,(H,29,32)
InChIKey YROYFAOHDVKTMJ-UHFFFAOYSA-N
Mol Weight 472.46 g/mol
Molecular Formula C26H31Cl2N3O
Exact Mass 471.184418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DtzBQmT5rhf
Name N-Benzyl-7',8'-dichloro-1',2',3',4',4a',5',10',11a'-octahydrospiro[cyclohexane-1,11'-dibenzo[b,e][1,4]diazepine]-4a'-carboxamide
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Formula C26H31Cl2N3O
InChI InChI=1S/C26H31Cl2N3O/c27-19-15-21-22(16-20(19)28)31-26(24(32)29-17-18-9-3-1-4-10-18)14-8-5-11-23(26)25(30-21)12-6-2-7-13-25/h1,3-4,9-10,15-16,23,30-31H,2,5-8,11-14,17H2,(H,29,32)
InChIKey YROYFAOHDVKTMJ-UHFFFAOYSA-N
Molecular Weight 472.460 g/mol
SMILES N1C2(C3C(C(=O)NCc4ccccc4)(Nc4c1cc(c(c4)Cl)Cl)CCCC3)CCCCC2
SPLASH splash10-000l-7029100000-fae946af4247b67100e8
Source of Spectrum F-68-7832-4l
Wiley ID 1715472