CYCLOPENTENYLFERROCENE(12260-67-2) IR2
Product NameCYCLOPENTENYLFERROCENE
CAS12260-67-2
Molecular FormulaC15H7Fe
Molecular Weight243.07
InChIInChI=1S/C10H11.C5H5.Fe/c1-2-6-9(5-1)10-7-3-4-8-10;1-2-4-5-3-1;/h1-2,5-7H,3-4,8H2;1-5H;
InChIKey DSZWLZDKKWLXLH-UHFFFAOYSA-N
SmilesC1(=CCCC1)[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe] |^1:5,6,7,8,9,10,11,12,13,14|
-
MassMS-IW-4173 (1-cyclopentenyl)ferrocene C15H16Fe (Mass of molecular ion: 252)
Source Temperature: 120 °C Sample Temperature: 100 °C Direct, 75 eV
56.0 7.4 81.0 1.2 103.0 1.0 115.0 1.7 121.0 11.0 122.0 1.3 126.0 1.3 127.0 1.1 128.0 5.6 129.0 5.1 130.0 1.4 134.0 1.3 158.0 1.2 184.0 12.3 185.0 3.1 186.0 8.5 187.0 1.2 248.0 1.2 249.0 2.1 250.0 20.0 251.0 10.6 252.0 100.0 253.0 19.0 254.0 2.6
400 MHz in CDCl3
-
1H NMR 399.65 MHz C15 H16 Fe 0.037 g : 0.5 ml CDCl3 (1-cyclopentenyl)ferrocene 
Assign. Shift(ppm)
A 5.734 B 4.324 C 4.169 D 4.075 E 2.581 F 2.355 G 1.969
Hz ppm Int.2294.19 5.741 36 2293.58 5.739 39 2291.63 5.735 67 2289.67 5.730 38 2289.18 5.728 36 1730.10 4.330 116 1728.39 4.325 165 1726.44 4.320 129 1668.09 4.174 148 1666.14 4.169 169 1664.31 4.165 130 1628.78 4.076 1000 1038.45 2.599 30 1033.08 2.585 44 1031.01 2.580 46 1025.39 2.566 34 1023.32 2.561 32 943.36 2.361 41 942.02 2.358 34 941.04 2.355 41 935.67 2.342 37 933.23 2.336 35 793.46 1.986 34 792.36 1.983 59 784.91 1.964 64 777.22 1.945 47
in CDCl3
KBr disc
nujol mull
