2-ISOPROPYLNAPHTHALENE(2027-17-0) IR1
Product Name2-ISOPROPYLNAPHTHALENE
CAS2027-17-0
Molecular FormulaC13H14
Molecular Weight170.25
InChIInChI=1S/C13H14/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h3-10H,1-2H3
InChIKey TVYVQNHYIHAJTD-UHFFFAOYSA-N
SmilesC1=C2C(C=CC=C2)=CC=C1C(C)C
-
MassMS-IW-2654 2-isopropylnaphthalene C13H14 (Mass of molecular ion: 170)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
51.0 1.4 63.0 2.1 64.0 1.1 71.0 1.1 75.0 1.5 76.0 5.1 76.5 1.7 77.0 3.1 77.5 2.6 85.0 1.0 115.0 5.6 126.0 1.9 127.0 6.4 128.0 9.5 129.0 5.8 139.0 1.3 141.0 3.1 151.0 2.2 152.0 7.7 153.0 11.5 154.0 8.0 155.0 100.0 156.0 13.2 165.0 1.0 169.0 1.1 170.0 36.2 171.0 5.2
400 MHz in CDCl3
-
1H NMR 399.65 MHz C13 H14 0.05 ml : 0.5 ml CDCl3 2-isopropylnaphthalene 
Assign. Shift(ppm)
A 7.74 B 7.72 C 7.60 D *1 7.38 E *1 7.36 F 7.332 G 3.007 J 1.303
Hz ppm Int.3098.02 7.752 189 3096.31 7.748 150 3089.11 7.730 310 3088.62 7.729 323 3080.57 7.709 169 3037.23 7.600 164 3036.25 7.598 172 3035.64 7.596 169 2961.67 7.411 47 2960.08 7.407 49 2954.71 7.394 122 2953.86 7.392 88 2952.27 7.388 67 2946.78 7.374 190 2944.95 7.369 183 2939.70 7.356 64 2938.60 7.353 103 2937.26 7.350 125 2935.30 7.345 130 2933.47 7.341 131 2931.88 7.337 66 2930.42 7.333 54 2926.88 7.324 108 2925.05 7.320 113 1208.98 3.026 73 1202.15 3.009 98 1195.19 2.991 77 1188.23 2.974 33 524.41 1.313 1000 517.46 1.295 990 511.11 1.279 39
in CDCl3
liquid film
