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1-Zircona-2-oxa-5,7-cyclooctadiene, 3,3,4,4-tetramethyl-7,8-diphenyl-bis(.eta.-5-cyclopentadienyl)-
SpectraBase Compound ID 4N1nIuuhNCC
InChI InChI=1S/C22H24O.2C5H5.Zr/c1-21(2,22(3,4)23)16-15-20(19-13-9-6-10-14-19)17-18-11-7-5-8-12-18;2*1-2-4-5-3-1;/h5-16H,1-4H3;2*1-5H;/q-1;;;+1/b16-15-,20-17?;;;
InChIKey RDFQBLADACQNLR-BJOODSHPSA-N
Mol Weight 515.77 g/mol
Molecular Formula C32H24OZr
Exact Mass 514.087414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CBJlrrSgeIh
Name 1-Zircona-2-oxa-5,7-cyclooctadiene, 3,3,4,4-tetramethyl-7,8-diphenyl-bis(.eta.-5-cyclopentadienyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H34OZr
InChI InChI=1S/C22H24O.2C5H5.Zr/c1-21(2,22(3,4)23)16-15-20(19-13-9-6-10-14-19)17-18-11-7-5-8-12-18;2*1-2-4-5-3-1;/h5-16H,1-4H3;2*1-5H;/q-1;;;+1/b16-15-,20-17?;;;
InChIKey RDFQBLADACQNLR-BJOODSHPSA-N
Molecular Weight 515.767 g/mol
SMILES [C]1[C][C][C][C]1.c1ccc(\C=2[Zr]OC(C(\C=C/C/2c2ccccc2)(C)C)(C)C)cc1.[C]1[C][C][C][C]1
SPLASH splash10-00di-1190200000-cba7d392c722633b01aa
Wiley ID 1493086