| SpectraBase Spectrum ID |
8it1MR1Df8 |
| Name |
iron; pentane-2,4-dione |
| CAS Registry Number |
14024-18-1 |
| Comments |
Note: The molecular formula of the structure shown is C15H24FeO6 - which differs from the formula reported for the mass spectrum (C15H21FeO6) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H21FeO6 |
| InChI |
InChI=1S/3C5H8O2.Fe/c3*1-4(6)3-5(2)7;/h3*3H2,1-2H3; |
| InChIKey |
KULJRCSOKIBGHK-UHFFFAOYSA-N |
| Molecular Weight |
356.196 g/mol |
| SMILES |
CC1=[O][Fe]23([O]=C(C)CC(=[O]3)C)([O]=C(C)CC(=[O]2)C)[O]=C(C1)C |
| SPLASH |
splash10-0udi-1291000000-3c4447faf544523f0008 |
| Source of Spectrum |
T-66-1399-0 |
| Wiley ID |
78259 |
