2-ISOPROPENYLNAPHTHALENE(3710-23-4) IR1
Product Name2-ISOPROPENYLNAPHTHALENE
CAS3710-23-4
Molecular FormulaC13H12
Molecular Weight168.23
InChIInChI=1S/C13H12/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h3-9H,1H2,2H3
InChIKey ANCUXNXTHQXICN-UHFFFAOYSA-N
SmilesC1=C2C(C=CC=C2)=CC=C1C(C)=C
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MassMS-IW-2138 2-isopropenylnaphthalene C13H12 (Mass of molecular ion: 168)
Source Temperature: 230 °C Sample Temperature: 160 °C Reservoir, 75 eV
39.0 1.6 50.0 1.2 51.0 2.1 57.5 1.2 62.0 1.0 63.0 3.6 69.5 1.8 71.0 1.1 74.0 1.7 75.0 2.7 75.5 1.0 76.0 5.5 76.5 1.1 77.0 2.9 81.5 1.2 82.0 3.9 82.5 4.3 83.0 6.8 83.5 1.2 84.0 3.2 87.0 1.2 89.0 1.0 101.0 1.7 102.0 1.4 115.0 4.2 126.0 3.8 127.0 6.3 128.0 23.5 129.0 2.7 139.0 2.7 141.0 3.4 150.0 2.3 151.0 7.7 152.0 30.1 153.0 42.2 154.0 5.3 163.0 1.8 164.0 1.8 165.0 11.7 166.0 3.8 167.0 20.4 168.0 100.0 169.0 14.1 170.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C13 H12 0.049 g : 0.5 ml CDCl3 2-isopropenylnaphthalene 
Assign. Shift(ppm)
A 7.827 B 7.79 C 7.77 D 7.745 E 7.644 F 7.43 G 7.41 J 5.515 K 5.173 L 2.240 ASSIGNED BY C-H COSY. J(J,L)=-0.7HZ J(K,L)=-1.5HZ
Hz ppm Int.3128.54 7.829 271 3127.44 7.826 275 3119.14 7.805 130 3116.82 7.799 135 3112.06 7.787 113 3109.38 7.781 239 3106.57 7.774 102 3101.93 7.762 162 3099.49 7.756 330 3090.70 7.734 290 3059.33 7.656 237 3057.50 7.651 224 3050.78 7.634 162 3048.95 7.630 153 2970.58 7.433 189 2968.75 7.429 176 2967.04 7.425 209 2963.99 7.417 390 2961.06 7.410 185 2959.35 7.405 178 2957.64 7.401 174 2204.47 5.517 322 2203.98 5.515 322 2068.97 5.177 229 2067.50 5.174 315 2066.16 5.170 221 896.61 2.244 820 895.87 2.242 975 895.26 2.241 1000 894.53 2.239 884
in CDCl3
KBr disc
nujol mull
