Carbonyl(cyclopentadienyl)(ethoxyphenylcarbene0-[tritolylphosphane] manganese

SpectraBase Compound ID	ILP7cxvUK87
InChI	InChI=1S/C21H21P.C9H10O.C5H5.CO.Mn/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;1-2-10-8-9-6-4-3-5-7-9;1-2-4-5-3-1;1-2;/h4-15H,1-3H3;3-7H,2H2,1H3;1-5H;;
InChIKey	YXISLIQLSDKZPC-UHFFFAOYSA-N Google Search
Mol Weight	586.6 g/mol
Molecular Formula	C36H36MnO2P
Exact Mass	586.183335 g/mol

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SpectraBase Spectrum ID	BUMtN83Rq7m
Name	Carbonyl(cyclopentadienyl)(ethoxyphenylcarbene0-[tritolylphosphane] manganese
Alternate Name(s)	{1-[ethoxy(phenyl)methylidene]-1-(hydroxymethyl)-1-manganapentacyclo[2.2.0.0(1,3).0(1,5).0(2,6)]hexan-1-ylium-1-yl}tris(4-methylphenyl)phosphanuide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C36H36MnO2P
InChI	InChI=1S/C21H21P.C9H10O.C5H5.CO.Mn/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;1-2-10-8-9-6-4-3-5-7-9;1-2-4-5-3-1;1-2;/h4-15H,1-3H3;3-7H,2H2,1H3;1-5H;;
InChIKey	YXISLIQLSDKZPC-UHFFFAOYSA-N
Molecular Weight	586.594 g/mol
SMILES	[C@]12([Mn+]345([C@@]1([C@]4([C@]5([C@@]23[H])[H])[H])[H])([P-](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)(=C(c1ccccc1)OCC)C#[O])[H]
SPLASH	splash10-0udi-0059110000-f7f68ce53a6550740757
Source of Spectrum	K-128-377-12
Wiley ID	1409066