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(1S,5R)-N-(1-(6-Dibenzylamino-3-azabicyclo[3.1.0]hex-3-yl)-2,3,3-trichloro-allylidene)-N'-(4-nitrophenyl)hydrazine
SpectraBase Compound ID D0FNAB9YhbF
InChI InChI=1S/C28H26Cl3N5O2/c29-25(27(30)31)28(33-32-21-11-13-22(14-12-21)36(37)38)35-17-23-24(18-35)26(23)34(15-19-7-3-1-4-8-19)16-20-9-5-2-6-10-20/h1-14,23-24,26,32H,15-18H2/t23-,24+,26+
InChIKey JSOJIHBGSFJEEW-OCYIUTNCSA-N
Mol Weight 570.91 g/mol
Molecular Formula C28H26Cl3N5O2
Exact Mass 569.115208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8px8dJ4S03d
Name (1S,5R)-N-(1-(6-Dibenzylamino-3-azabicyclo[3.1.0]hex-3-yl)-2,3,3-trichloro-allylidene)-N'-(4-nitrophenyl)hydrazine
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Formula C28H26Cl3N5O2
InChI InChI=1S/C28H26Cl3N5O2/c29-25(27(30)31)28(33-32-21-11-13-22(14-12-21)36(37)38)35-17-23-24(18-35)26(23)34(15-19-7-3-1-4-8-19)16-20-9-5-2-6-10-20/h1-14,23-24,26,32H,15-18H2/t23-,24+,26+
InChIKey JSOJIHBGSFJEEW-OCYIUTNCSA-N
Instrument Name Hewlett Packard MS 5989B
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.69
Molecular Weight 570.908 g/mol
Reported Formula C28H26Cl3N5O2
SMILES N(N=C(N1C[C@@]2([C@](N(Cc3ccccc3)Cc3ccccc3)([C@@]2(C1)[H])[H])[H])C(=C(Cl)Cl)Cl)c1ccc(cc1)[N+](=O)[O-]
SPLASH splash10-0006-9000000000-32e7b7813ec641c3aabe
Source of Spectrum BJO-8-SM3-6
Wiley ID 1867408