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Tricarbonyl[(3a,7a-trans)-octahydro-3-(t-butyl)-2-(n-2'-diphenylphosphinophenyl)benzoxazole]chromium(0)
SpectraBase Compound ID 4Zicyv08yVH
InChI InChI=1S/C29H34NOP.3CO.Cr/c1-29(2,3)30-25-19-11-12-20-26(25)31-28(30)24-18-10-13-21-27(24)32(22-14-6-4-7-15-22)23-16-8-5-9-17-23;3*1-2;/h4-10,13-18,21,25-26,28H,11-12,19-20H2,1-3H3;;;;/t25-,26-,28+;;;;/m1..../s1
InChIKey TUTKROKTNMOAIQ-CTUXMSHWSA-N
Mol Weight 579.597 g/mol
Molecular Formula C32H34CrNO4P
Exact Mass 579.163051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CvZaINPJFcu
Name Tricarbonyl[(3a,7a-trans)-octahydro-3-(t-butyl)-2-(n-2'-diphenylphosphinophenyl)benzoxazole]chromium(0)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H34CrNO4P
InChI InChI=1S/C29H34NOP.3CO.Cr/c1-29(2,3)30-25-19-11-12-20-26(25)31-28(30)24-18-10-13-21-27(24)32(22-14-6-4-7-15-22)23-16-8-5-9-17-23;3*1-2;/h4-10,13-18,21,25-26,28H,11-12,19-20H2,1-3H3;;;;/t25-,26-,28+;;;;/m1..../s1
InChIKey TUTKROKTNMOAIQ-CTUXMSHWSA-N
Molecular Weight 579.597 g/mol
SMILES [Cr].[C@]1(N([C@@]2(CCCC[C@]2(O1)[H])[H])C(C)(C)C)(c1c(P(c2ccccc2)c2ccccc2)cccc1)[H].[O+]#[C-].[O+]#[C-].[O+]#[C-]
SPLASH splash10-0f7a-3001900000-14ea1bd34670a59bf332
Source of Spectrum AG-560-197-0
Wiley ID 1408431