N-[(4',4'-Dimethyl-4',5'-dihydrooxazolin-2'-yl)methyl]-N-phenyl-N-(ferrocenylmethyl) - Amine - Optional[MS (GC)] - Spectrum

SpectraBase Compound ID	BWwut3DLJoH
InChI	InChI=1S/C18H21N2O.C5H5.Fe/c1-18(2)14-21-17(19-18)13-20(12-15-8-6-7-9-15)16-10-4-3-5-11-16;1-2-4-5-3-1;/h3-11H,12-14H2,1-2H3;1-5H;
InChIKey	NYMFVZALPNWVIR-UHFFFAOYSA-N Google Search
Mol Weight	402.32 g/mol
Molecular Formula	C23H26FeN2O
Exact Mass	402.139449 g/mol

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SpectraBase Spectrum ID	5jlZocLWCxp
Name	N-[(4',4'-Dimethyl-4',5'-dihydrooxazolin-2'-yl)methyl]-N-phenyl-N-(ferrocenylmethyl) - Amine
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C23H26FeN2O
InChI	InChI=1S/C18H21N2O.C5H5.Fe/c1-18(2)14-21-17(19-18)13-20(12-15-8-6-7-9-15)16-10-4-3-5-11-16;1-2-4-5-3-1;/h3-11H,12-14H2,1-2H3;1-5H;
InChIKey	NYMFVZALPNWVIR-UHFFFAOYSA-N
Molecular Weight	402.319 g/mol
SMILES	[C@]12([Fe]3456789([C@]2([C@@]5([C@@]4([C@]13[H])[H])[H])[H])[C@@]1([C@]6([C@]7([C@]8([C@]91[H])[H])[H])[H])[H])CN(CC1=NC(C)(C)CO1)c1ccccc1
SPLASH	splash10-000j-1790000000-543d6acd9619abb0d04f
Source of Spectrum	G-68-1226-5
Wiley ID	1520449