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1-Zircona-2-oxa-5-cyclohexene, 4-isobutenyl-3,3,5,6-tetraphenyl-bis(.eta.-5-cyclopentadienyl)-
SpectraBase Compound ID 3naM7tJjt0N
InChI InChI=1S/C32H28O.2C5H5.Zr/c1-25(2)23-31(30(27-17-9-4-10-18-27)24-26-15-7-3-8-16-26)32(33,28-19-11-5-12-20-28)29-21-13-6-14-22-29;2*1-2-4-5-3-1;/h3-23,31H,1-2H3;2*1-5H;/q-1;;;+1
InChIKey MKYSDQSYRHEBEL-UHFFFAOYSA-N
Mol Weight 639.91 g/mol
Molecular Formula C42H28OZr
Exact Mass 638.118714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9DvOUQ3Qmft
Name 1-Zircona-2-oxa-5-cyclohexene, 4-isobutenyl-3,3,5,6-tetraphenyl-bis(.eta.-5-cyclopentadienyl)-
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H38OZr
InChI InChI=1S/C32H28O.2C5H5.Zr/c1-25(2)23-31(30(27-17-9-4-10-18-27)24-26-15-7-3-8-16-26)32(33,28-19-11-5-12-20-28)29-21-13-6-14-22-29;2*1-2-4-5-3-1;/h3-23,31H,1-2H3;2*1-5H;/q-1;;;+1
InChIKey MKYSDQSYRHEBEL-UHFFFAOYSA-N
Molecular Weight 639.909 g/mol
SMILES [C]1[C][C][C][C]1.c1ccc(C2=C(C(C(O[Zr]2)(c2ccccc2)c2ccccc2)C=C(C)C)c2ccccc2)cc1.[C]1[C][C][C][C]1
SPLASH splash10-00di-0291300000-5bd01655ea30949b0f09
Wiley ID 1493085