IODOCYCLOHEXANE(626-62-0) Raman
Product NameIODOCYCLOHEXANE
CAS626-62-0
Molecular FormulaC6H11I
Molecular Weight210.06
InChIInChI=1S/C6H11I/c7-6-4-2-1-3-5-6/h6H,1-5H2
InChIKey FUCOMWZKWIEKRK-UHFFFAOYSA-N
SmilesC1(I)CCCCC1
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MassMS-NW-1098 iodocyclohexane C6H11I (Mass of molecular ion: 210)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
26.0 1.0 27.0 9.2 28.0 1.1 29.0 8.8 38.0 1.0 39.0 13.7 40.0 2.0 41.0 42.8 42.0 3.8 43.0 3.8 50.0 1.2 51.0 2.1 52.0 1.1 53.0 5.2 54.0 7.1 55.0 82.2 56.0 3.6 67.0 6.0 79.0 1.4 81.0 2.3 82.0 1.0 83.0 100.0 84.0 6.9 127.0 2.4 210.0 11.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H11 I 0.04 ml : 0.5 ml CDCl3 iodocyclohexane 
Assign. Shift(ppm)
A 4.370 B 2.09 C 1.88 to 1.19
Hz ppm Int.404.50 4.517 229 400.00 4.467 436 397.13 4.435 107 395.56 4.417 514 391.31 4.370 736 386.88 4.320 549 382.56 4.272 348 377.94 4.220 240 188.13 2.101 889 167.88 1.875 147 167.56 1.871 159 167.25 1.868 166 145.13 1.621 1000 138.25 1.544 947 126.56 1.414 711
in CDCl3
CCl4 solution
liquid film
