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(R,R)-1,1'-Bis-(.alpha.-N-benzyl-N-methylamino-o-allylphenylmethyl)ferrocene
SpectraBase Compound ID 38K4LItWEm8
InChI InChI=1S/2C23H24N.Fe/c2*1-3-11-20-14-9-10-17-22(20)23(21-15-7-8-16-21)24(2)18-19-12-5-4-6-13-19;/h2*3-10,12-17,23H,1,11,18H2,2H3;/t2*23-;/m00./s1
InChIKey MUGMSSIVTKJVKX-MDZQUCRVSA-N
Mol Weight 684.7 g/mol
Molecular Formula C46H48FeN2
Exact Mass 684.316686 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4VT27jLf13Q
Name (R,R)-1,1'-Bis-(.alpha.-N-benzyl-N-methylamino-o-allylphenylmethyl)ferrocene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H48FeN2
InChI InChI=1S/2C23H24N.Fe/c2*1-3-11-20-14-9-10-17-22(20)23(21-15-7-8-16-21)24(2)18-19-12-5-4-6-13-19;/h2*3-10,12-17,23H,1,11,18H2,2H3;/t2*23-;/m00./s1
InChIKey MUGMSSIVTKJVKX-MDZQUCRVSA-N
Molecular Weight 684.749 g/mol
SMILES [C@]12([Fe]3456789([C@]2([C@@]5([C@@]4([C@]13[H])[H])[H])[H])[C@]1([C@](N(Cc2ccccc2)C)(c2c(CC=C)cccc2)[H])[C@]8([C@]9([C@]7([C@]61[H])[H])[H])[H])[C@](N(Cc1ccccc1)C)(c1c(CC=C)cccc1)[H]
SPLASH splash10-000x-9233007000-d14198461d97bf37c3cb
Source of Spectrum QC-9-1160-16
Wiley ID 870426