SpectraBase Spectrum ID |
71K5X0KmeJA |
Name |
|
Copyright |
Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula |
C36H44ClFeN4 |
InChI |
InChI=1S/C36H44N4.ClH.Fe/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;;/h17-20H,9-16H2,1-8H3;1H;/q-2;;+3/p-1/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20+,35-19-,36-20+;; |
InChIKey |
NWWCYXFDLUMYRQ-FWMAYOCYSA-M |
Molecular Weight |
625.2750 |
SMILES |
N12=C3C=C4N5[Fe]22(Cl)N=6C(=Cc7c(c(c(C=C1C(=C3CC)CC)[n]27)CC)CC)C(CC)=C(CC)C6C=C5C(=C4CC)CC |
SPLASH |
splash10-000i-0020190000-4067e2dd2777ba5a48e7 |
Source of Spectrum |
Chemical Concepts, A Wiley Division, Weinheim, Germany |