Neophyl chloride(515-40-2) IR1
Product NameNeophyl chloride
CAS515-40-2
Molecular FormulaC10H13Cl
Molecular Weight168.66
InChIInChI=1S/C10H13Cl/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKey DNXXUUPUQXSUFH-UHFFFAOYSA-N
SmilesC1(C(C)(C)CCl)=CC=CC=C1
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MassMS-NW-8363 1-chloro-2-methyl-2-phenylpropane C10H13Cl (Mass of molecular ion: 168)
Source Temperature: 250 °C Sample Temperature: 130 °C Reservoir, 75 eV
27.0 2.0 29.0 1.0 39.0 5.4 41.0 12.0 50.0 2.0 51.0 5.9 52.0 1.3 53.0 1.2 55.0 1.1 57.5 1.2 63.0 2.2 65.0 3.2 75.0 1.3 77.0 6.8 78.0 3.3 79.0 6.3 89.0 1.3 91.0 45.7 92.0 3.7 102.0 1.3 103.0 4.5 104.0 1.0 115.0 6.4 116.0 1.6 117.0 9.6 118.0 2.1 119.0 100.0 120.0 10.0 132.0 1.8 153.0 1.0 168.0 4.7 170.0 1.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H13 Cl 0.05 ml : 0.5 ml CDCl3 1-chloro-2-methyl-2-phenylpropane 
Assign. Shift(ppm)
A 7.343 B 7.313 C 7.209 D 3.611 E 1.405
Hz ppm Int.2941.77 7.361 77 2940.06 7.357 102 2937.87 7.352 50 2935.30 7.345 66 2933.96 7.342 130 2932.98 7.339 245 2931.64 7.336 223 2929.69 7.331 106 2928.71 7.329 205 2926.15 7.322 52 2923.22 7.315 58 2921.39 7.310 189 2919.56 7.306 91 2915.16 7.295 45 2913.21 7.290 88 2888.31 7.228 47 2886.72 7.224 83 2885.01 7.219 47 2881.96 7.212 40 2879.64 7.206 87 2877.56 7.201 36 2872.92 7.189 43 1443.36 3.612 551 561.77 1.406 1000
in CDCl3
liquid film
4880 A,200 M,liquid
