SpectraBase Spectrum ID |
JiCIX3wLNEW |
Name |
[N-(2,2-Diethoxyethyl)amino]-1,2-ferrocenylethane |
Comments |
Note: The molecular formula of the structure shown is C30H43Fe2NO2 - which differs from the formula reported for the mass spectrum (C28H35Fe2NO2) |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C28H35Fe2NO2 |
InChI |
InChI=1S/C18H27NO2.2C5H5.2CH3.2Fe/c1-3-20-18(21-4-2)14-19-17(16-11-7-8-12-16)13-15-9-5-6-10-15;2*1-2-4-5-3-1;;;;/h5-11,16-19H,3-4,12-14H2,1-2H3;2*1-5H;2*1H3;; |
InChIKey |
KWEVJTFVCSXVTB-UHFFFAOYSA-N |
Molecular Weight |
561.369 g/mol |
SMILES |
N(C(C1C2[Fe]34567(C8C7C6C5C38)(C)(C)C(C1)C24)C[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])CC(OCC)OCC |
SPLASH |
splash10-001r-0259000000-1f5f09c8783416e97a4c |
Source of Spectrum |
J-59-1497-22 |
Wiley ID |
1403210 |