| SpectraBase Spectrum ID |
6QfWBOTlwPH |
| Name |
3-Ferrocenyl-4-methyl-6-(trifluoromethyl)isoquinolin-1(2H)-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H16F3FeNO |
| InChI |
InChI=1S/C16H11F3NO.C5H5.Fe/c1-9-13-8-11(16(17,18)19)6-7-12(13)15(21)20-14(9)10-4-2-3-5-10;1-2-4-5-3-1;/h2-8H,1H3,(H,20,21);1-5H;/q2*-1; |
| InChIKey |
PIWWIUJPSFXUHK-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1002/adsc.201301156 |
| Molecular Weight |
411.205 g/mol |
| SMILES |
[Fe].N1C(c2ccc(cc2C(=C1c1ccc[cH-]1)C)C(F)(F)F)=O.c1cc[cH-]c1 |
| SPLASH |
splash10-03di-0000900000-61871452b3d45051ae5b |
| Source of Spectrum |
ASC-356-1619/SM22-8da |
| Wiley ID |
1762140 |
