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12d-Methyl-N(4b),N(8b),N(12b)-tris[(R)-1-phenylethyl)]dibenzo[2,3:4,5]pentaleno[1,6-ab]indene-4b,8b,12b(12dH)-triamine
SpectraBase Compound ID 7Vj6jEMqpDP
InChI InChI=1S/C47H45N3/c1-32(35-20-8-5-9-21-35)48-45-38-26-14-16-28-40(38)46(49-33(2)36-22-10-6-11-23-36)42-30-18-19-31-43(42)47(44(45,46)4,41-29-17-15-27-39(41)45)50-34(3)37-24-12-7-13-25-37/h5-34,48-50H,1-4H3/t32-,33-,34-,44-,45-,46+,47-/m1/s1
InChIKey IZUQLOJPETYVNS-JIMWQCBHSA-N
Mol Weight 651.9 g/mol
Molecular Formula C47H45N3
Exact Mass 651.361348 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IFjhoH70Ntf
Name 12d-Methyl-N(4b),N(8b),N(12b)-tris[(R)-1-phenylethyl)]dibenzo[2,3:4,5]pentaleno[1,6-ab]indene-4b,8b,12b(12dH)-triamine
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Formula C47H45N3
InChI InChI=1S/C47H45N3/c1-32(35-20-8-5-9-21-35)48-45-38-26-14-16-28-40(38)46(49-33(2)36-22-10-6-11-23-36)42-30-18-19-31-43(42)47(44(45,46)4,41-29-17-15-27-39(41)45)50-34(3)37-24-12-7-13-25-37/h5-34,48-50H,1-4H3/t32-,33-,34-,44-,45-,46+,47-/m1/s1
InChIKey IZUQLOJPETYVNS-JIMWQCBHSA-N
Molecular Weight 651.898 g/mol
SMILES N([C@@]12C3([C@](c4ccccc4[C@]3(c3ccccc23)N[C@@](c2ccccc2)(C)[H])(c2ccccc12)N[C@@](c1ccccc1)(C)[H])C)[C@@](c1ccccc1)(C)[H]
SPLASH splash10-06r6-1591410000-6c6ba8079888e27d4b23
Source of Spectrum KC-57-3605-39
Wiley ID 1623920