2-Cyclohexen-1-one(930-68-7) 13C NMR
Product Name2-Cyclohexen-1-one
CAS930-68-7
Molecular FormulaC6H8O
Molecular Weight96.13
InChIInChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2
InChIKey FWFSEYBSWVRWGL-UHFFFAOYSA-N
SmilesC1(=O)CCCC=C1
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MassMS-NW-2647 2-cyclohexen-1-one C6H8O (Mass of molecular ion: 96)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 1.2 26.0 1.8 27.0 7.6 28.0 1.2 37.0 1.1 38.0 2.5 39.0 19.0 40.0 19.6 41.0 6.9 42.0 8.3 50.0 1.1 51.0 1.4 53.0 4.0 54.0 1.8 55.0 5.9 65.0 1.4 67.0 3.1 68.0 100.0 69.0 4.6 96.0 29.2 97.0 2.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H8 O 0.05 ml : 0.5 ml CDCl3 2-cyclohexen-1-one 
Assign. Shift(ppm)
A 7.034 B 6.009 C 2.427 D 2.372 E 2.030 J(A,B)=10.3HZ J(A,D)=4.2HZ J(B,D)=2.0HZ J(D,E)=6.0HZ
Hz ppm Int.2820.68 7.058 257 2816.53 7.048 492 2812.50 7.038 272 2810.55 7.033 273 2806.40 7.023 511 2802.37 7.013 266 2408.69 6.027 331 2406.74 6.023 567 2404.66 6.017 302 2398.56 6.002 310 2396.48 5.997 540 2394.53 5.992 291 984.01 2.463 30 983.15 2.461 31 982.91 2.460 31 977.29 2.446 932 974.49 2.439 172 970.70 2.429 984 969.24 2.426 537 966.06 2.418 219 963.62 2.412 1000 957.64 2.397 291 955.69 2.392 302 953.49 2.386 341 951.66 2.382 746 949.58 2.377 561 947.51 2.371 562 945.56 2.366 789 943.48 2.361 402 941.53 2.356 384 939.45 2.351 364 823.12 2.060 303 820.56 2.054 77 817.26 2.045 642 810.79 2.029 649 809.94 2.027 701 803.71 2.012 611 800.54 2.004 72 797.61 1.996 218
in CDCl3
liquid film
