3-METHYLENE-2-NORBORNANONE(5597-27-3) IR1
Product Name3-METHYLENE-2-NORBORNANONE
CAS5597-27-3
Molecular FormulaC8H10O
Molecular Weight122.16
InChIInChI=1S/C8H10O/c1-5-6-2-3-7(4-6)8(5)9/h6-7H,1-4H2
InChIKey FNOOZJAPZFHNCW-UHFFFAOYSA-N
SmilesC12CC(CC1)C(=C)C2=O
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MassMS-NW-5633 3-methylene-2-norbornanone C8H10O (Mass of molecular ion: 122)
Source Temperature: 280 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 4.5 18.0 2.7 26.0 4.6 27.0 30.2 28.0 3.4 29.0 3.1 30.0 2.4 37.0 2.1 38.0 5.4 39.0 36.4 40.0 10.8 41.0 17.9 42.0 5.9 43.0 13.1 44.0 23.8 45.0 6.2 46.0 1.9 50.0 4.7 51.0 9.6 52.0 7.4 53.0 45.0 54.0 9.6 55.0 12.0 56.0 1.2 58.0 6.5 61.0 1.0 62.0 2.0 63.0 4.4 65.0 16.7 66.0 36.5 67.0 24.4 68.0 6.0 69.0 1.4 72.0 3.6 77.0 33.4 78.0 9.3 79.0 100.0 80.0 9.6 81.0 11.2 82.0 1.8 87.0 14.2 91.0 19.6 92.0 4.2 93.0 89.8 94.0 14.9 95.0 4.6 103.0 1.8 104.0 5.5 105.0 1.5 107.0 10.4 108.0 1.1 110.0 2.2 121.0 8.0 122.0 90.8 123.0 8.9 147.0 1.9 188.0 1.0 193.0 2.3 216.0 1.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H10 O 0.05 ml : 0.5 ml CDCl3 3-methylene-2-norbornanone 
Assign. Shift(ppm)
A *1 5.713 B *1 5.167 C 3.136 D 2.720 E *2 1.89 F *3 1.744 G *3 1.635 J *2 1.547 ASSIGNED BY C-H COSY
Hz ppm Int.2283.94 5.715 708 2283.20 5.714 1000 2282.35 5.711 711 2065.06 5.168 849 1254.03 3.138 363 1088.99 2.725 322 1087.52 2.722 327 1086.06 2.718 321 763.31 1.910 269 762.08 1.907 360 759.77 1.902 405 757.93 1.897 305 756.84 1.894 193 755.13 1.890 187 753.30 1.885 304 752.20 1.883 376 751.34 1.880 352 749.51 1.876 295 747.92 1.872 246 705.08 1.765 170 703.25 1.760 245 701.42 1.756 182 694.95 1.739 259 693.12 1.735 366 691.28 1.730 272 659.18 1.650 336 657.71 1.646 512 656.37 1.643 342 649.05 1.625 219 647.58 1.621 342 646.12 1.617 250 626.95 1.569 234 625.12 1.565 463 623.41 1.560 383 621.22 1.555 237 619.02 1.549 209 617.07 1.545 214 614.99 1.539 225 612.18 1.532 387
in CDCl3
liquid film
