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5,6-Chiragen(o-xylidene) ligand
SpectraBase Compound ID L9HfR7lU8Kw
InChI InChI=1S/C42H42N4/c1-41(2)31-23-33(41)29(39-27(31)15-17-37(45-39)35-9-5-7-19-43-35)21-25-11-13-26(14-12-25)22-30-34-24-32(42(34,3)4)28-16-18-38(46-40(28)30)36-10-6-8-20-44-36/h5-20,29-34H,21-24H2,1-4H3/t29-,30?,31-,32?,33?,34+/m0/s1
InChIKey GIMTYQRGFOEUCJ-QGKCXVLVSA-N
Mol Weight 602.8 g/mol
Molecular Formula C42H42N4
Exact Mass 602.340947 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ecl3SNmoDYI
Name 5,6-Chiragen(o-xylidene) ligand
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H42N4
InChI InChI=1S/C42H42N4/c1-41(2)31-23-33(41)29(39-27(31)15-17-37(45-39)35-9-5-7-19-43-35)21-25-11-13-26(14-12-25)22-30-34-24-32(42(34,3)4)28-16-18-38(46-40(28)30)36-10-6-8-20-44-36/h5-20,29-34H,21-24H2,1-4H3/t29-,30?,31-,32?,33?,34+/m0/s1
InChIKey GIMTYQRGFOEUCJ-QGKCXVLVSA-N
Molecular Weight 602.826 g/mol
SMILES c12[C@](C3C[C@@](c2ccc(n1)-c1ncccc1)(C3(C)C)[H])(Cc1ccc(CC2c3nc(-c4ncccc4)ccc3C3C[C@]2(C3(C)C)[H])cc1)[H]
SPLASH splash10-0a4i-0190000000-90191bb87d6c2ee55555
Source of Spectrum QE-7-539-3
Wiley ID 845289