Product NameFerrocenecarboxaldehyde
CAS12093-10-6
Molecular FormulaC11H10FeO10*
Molecular Weight214.04
InChIInChI=1S/C6H5O.C5H5.Fe/c7-5-6-3-1-2-4-6;1-2-4-5-3-1;/h1-5H;1-5H;
InChIKey UQTCQJVPLIVCAX-UHFFFAOYSA-N
Smiles[C]1(C=O)[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe] |^1:0,3,4,5,6,7,8,9,10,11|
Mass
MS-NW-6618 ferrocenecarbaldehyde C11H10FeO (Mass of molecular ion: 214)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
38.0 1.0 39.0 5.6 54.0 2.2 56.0 32.5 57.0 3.1 63.0 1.5 65.0 4.6 81.0 5.9 82.0 1.1 93.0 1.7 94.0 6.8 95.0 6.6 102.0 1.0 103.0 1.5 107.0 2.0 119.0 4.4 120.0 10.0 121.0 52.3 122.0 5.4 127.0 1.3 128.0 5.7 129.0 6.1 130.0 2.3 133.0 1.0 134.0 1.6 148.0 1.1 158.0 1.0 160.0 1.4 171.0 1.1 184.0 10.6 185.0 3.2 186.0 63.1 187.0 8.6 212.0 6.4 213.0 1.6 214.0 100.0 215.0 14.5 216.0 1.7
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C11 H10 Fe O | 0.040 g : 0.5 ml CDCl3 |
ferrocenecarbaldehyde |
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Assign. Shift(ppm) |
Hz ppm Int.
891.65 9.956 107 431.10 4.814 76 429.27 4.794 136 427.29 4.771 121 413.60 4.619 105 411.69 4.597 132 409.86 4.577 78 382.47 4.271 1000
in CDCl3
KBr disc
nujol mull
Ferrocenecarboxaldehyde(12093-10-6) IR2 Atlas of Related Products
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