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Rac-(1R,2S,4S)-4-hydroxy-2-methyl-6-methylene cyclohexyl (Sp)-2-(diphenylphosphanyl) ferrocenecarboxylate
SpectraBase Compound ID 1QETyv04Vwk
InChI InChI=1S/C26H26O3P.C5H5.Fe/c1-18-16-20(27)17-19(2)25(18)29-26(28)23-14-9-15-24(23)30(21-10-5-3-6-11-21)22-12-7-4-8-13-22;1-2-4-5-3-1;/h3-15,19-20,25,27H,1,16-17H2,2H3;1-5H;
InChIKey NTYYQTAIBSLICV-UHFFFAOYSA-N
Mol Weight 538.4 g/mol
Molecular Formula C31H31FeO3P
Exact Mass 538.136018 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DO1LhtG8Jqn
Name Rac-(1R,2S,4S)-4-hydroxy-2-methyl-6-methylene cyclohexyl (Sp)-2-(diphenylphosphanyl) ferrocenecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H31FeO3P
InChI InChI=1S/C26H26O3P.C5H5.Fe/c1-18-16-20(27)17-19(2)25(18)29-26(28)23-14-9-15-24(23)30(21-10-5-3-6-11-21)22-12-7-4-8-13-22;1-2-4-5-3-1;/h3-15,19-20,25,27H,1,16-17H2,2H3;1-5H;
InChIKey NTYYQTAIBSLICV-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol8016148
Molecular Weight 538.405 g/mol
SMILES OC1CC(C(OC(=O)[C@@]23[C@@]4([C@]5([Fe]2424678([C@]5([C@]34P(c3ccccc3)c3ccccc3)[H])[C@]3([C@@]2([C@@]6([C@@]8([C@@]73[H])[H])[H])[H])[H])[H])[H])C(C1)C)=C
SPLASH splash10-03y0-0219510000-c71530202e9b8327ed1d
Source of Spectrum A1-10-5321/SM27-4a
Wiley ID 1759804