SpectraBase Spectrum ID |
7NDJYcRfl2N |
Name |
[(1-4.eta.-5-{2-Amino-4-(2,2-diethoxyethoxy)-5-methylphenyl}cyclohexa-1,3-diene]tricarbonyliron |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C22H27FeNO6 |
InChI |
InChI=1S/C19H27NO3.3CO.Fe/c1-4-21-19(22-5-2)13-23-18-12-17(20)16(11-14(18)3)15-9-7-6-8-10-15;3*1-2;/h6-9,11-12,15,19H,4-5,10,13,20H2,1-3H3;;;; |
InChIKey |
ALDVUABMTLCRFM-UHFFFAOYSA-N |
Molecular Weight |
457.304 g/mol |
SMILES |
Nc1c(C2C3[Fe]45(C3C5C4C2)(C#[O])(C#[O])C#[O])cc(c(OCC(OCC)OCC)c1)C |
SPLASH |
splash10-0kmi-0159200000-e4b81596a0deef70f045 |
Source of Spectrum |
SO-0-2135-10 |
Wiley ID |
878372 |