BICYCLO[4.3.0]NONA-3,6(1)-DIENE(7603-37-4) MS
Product NameBICYCLO[4.3.0]NONA-3,6(1)-DIENE
CAS7603-37-4
Molecular FormulaC9H12
Molecular Weight120.19
InChIInChI=1S/C9H12/c1-2-5-9-7-3-6-8(9)4-1/h1-2H,3-7H2
InChIKey PJEOOBRBALZZSL-UHFFFAOYSA-N
SmilesC1C2=C(CC=CC2)CC1
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MassMS-NW-5827 bicyclo(4.3.0)nona-3,6(1)-diene C9H12 (Mass of molecular ion: 120)
Source Temperature: 270 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 1.0 27.0 6.1 38.0 1.9 39.0 14.8 40.0 2.3 41.0 9.2 50.0 3.6 51.0 8.7 52.0 3.2 53.0 3.8 55.0 1.3 57.0 1.6 57.5 4.6 58.0 6.0 58.5 1.2 59.0 1.7 62.0 2.5 63.0 6.4 64.0 1.5 65.0 9.9 66.0 4.8 67.0 1.6 74.0 1.5 75.0 1.1 77.0 12.1 78.0 13.9 79.0 20.0 80.0 3.7 89.0 3.8 90.0 1.4 91.0 100.0 92.0 67.4 93.0 6.7 102.0 1.4 103.0 5.0 104.0 1.8 105.0 19.6 106.0 2.1 115.0 15.3 116.0 4.9 117.0 47.1 118.0 34.3 119.0 14.5 120.0 68.7 121.0 7.4 134.0 1.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H12 0.05 ml : 0.5 ml CDCl3 bicyclo(4.3.0)nona-3,6(1)-diene 
Assign. Shift(ppm)
A 5.736 B 2.633 C 2.254 D 1.838
Hz ppm Int.2296.02 5.746 70 2293.58 5.739 409 2292.48 5.737 854 2291.26 5.734 411 2288.94 5.728 58 1052.25 2.633 1000 1044.68 2.614 37 908.57 2.274 327 901.25 2.256 554 893.80 2.237 384 747.92 1.872 99 742.55 1.859 76 740.36 1.853 209 738.53 1.848 83 734.86 1.839 109 732.91 1.834 352 728.64 1.824 49 727.54 1.821 74 725.34 1.815 182 723.88 1.812 71 718.38 1.798 74 717.90 1.797 73
in CDCl3
liquid film (CONTAINS 15% INDAN)
4880 A,150M,liquid
