2-ETHYLNAPHTHALENE(939-27-5) MS
Product Name2-ETHYLNAPHTHALENE
CAS939-27-5
Molecular FormulaC12H12
Molecular Weight156.22
InChIInChI=1S/C12H12/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h3-9H,2H2,1H3
InChIKey RJTJVVYSTUQWNI-UHFFFAOYSA-N
SmilesC1=C2C(C=CC=C2)=CC=C1CC
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MassMS-NW-5219 2-ethylnaphthalene C12H12 (Mass of molecular ion: 156)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 1.0 28.0 1.6 39.0 2.2 50.0 1.7 51.0 3.4 57.5 2.8 62.0 1.4 63.0 4.4 64.0 1.8 65.0 1.0 69.5 1.1 70.5 5.4 74.0 1.7 75.0 2.6 76.0 5.1 77.0 3.6 78.0 2.8 87.0 1.2 89.0 1.8 101.0 1.0 102.0 1.3 115.0 16.2 116.0 1.8 126.0 2.1 127.0 4.2 128.0 7.1 129.0 2.4 139.0 5.3 140.0 1.8 141.0 100.0 142.0 12.5 151.0 1.4 152.0 4.4 153.0 4.4 154.0 2.4 155.0 5.4 156.0 62.3 157.0 8.2
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C12 H12 0.04 ml : 0.5 ml CDCl3 2-ethylnaphthalene 
Assign. Shift(ppm)
A *1 7.79 B *1 7.76 C 7.76 D 7.62 E *2 7.42 F *2 7.40 G 7.34 J 2.81 K 1.32 THE SHIFT VALUES WERE OBTAINED AT 400MHZ.
Hz ppm Int.700.56 7.823 58 699.56 7.812 90 698.50 7.800 84 697.69 7.791 112 696.19 7.774 195 694.63 7.757 107 693.63 7.745 130 691.13 7.717 128 690.38 7.709 154 688.63 7.690 268 680.31 7.597 135 679.31 7.585 156 670.44 7.486 48 668.56 7.465 37 666.38 7.441 216 665.63 7.433 221 664.06 7.415 117 662.94 7.403 60 661.63 7.388 126 660.63 7.377 145 659.38 7.363 170 657.56 7.343 153 656.75 7.334 164 656.25 7.328 173 650.88 7.268 88 649.13 7.248 82 260.69 2.911 57 253.06 2.826 181 245.56 2.742 201 237.88 2.657 78 123.94 1.384 433 116.56 1.302 1000 116.19 1.298 668 108.81 1.215 335
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1H NMR 399.65 MHz C12 H12 18.0 mg : 0.5 ml CDCl3 2-ethylnaphthalene Assign. Shift(ppm)
A 7.79 B 7.77 C 7.76 D 7.618 E 7.44 F 7.40 G 7.344 J 2.806 K 1.320 CONFIRMED BY LAOCN PROGRAM.
Hz ppm Int.3118.53 7.804 78 3117.31 7.801 64 3110.60 7.784 148 3109.38 7.781 157 3105.83 7.772 129 3101.44 7.761 96 3097.41 7.751 132 3044.68 7.619 141 2980.10 7.457 38 2978.64 7.454 47 2973.27 7.440 102 2971.68 7.436 84 2970.58 7.433 45 2965.70 7.421 167 2963.50 7.416 151 2958.25 7.403 54 2957.28 7.400 87 2955.81 7.396 94 2950.44 7.383 45 2948.97 7.379 38 2939.82 7.356 101 2937.99 7.352 96 2931.40 7.335 89 2929.69 7.331 85 1133.18 2.836 62 1125.61 2.817 186 1118.04 2.798 190 1110.47 2.779 68 535.28 1.340 466 527.71 1.321 1000 525.27 1.315 36 520.14 1.302 475
in CDCl3
liquid film
4880 A,200 M,liquid
