1-ISOPROPYL-4-NITROBENZENE(1817-47-6) MS
Product Name1-ISOPROPYL-4-NITROBENZENE
CAS1817-47-6
Molecular FormulaC9H11NO2
Molecular Weight165.19
InChIInChI=1S/C9H11NO2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3
InChIKey JXMYUMNAEKRMIP-UHFFFAOYSA-N
SmilesC1(C(C)C)=CC=C([N+]([O-])=O)C=C1
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MassMS-IW-9724 4-nitrocumene C9H11NO2 (Mass of molecular ion: 165)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 4.8 28.0 3.3 30.0 4.4 38.0 1.0 39.0 8.8 40.0 1.0 41.0 10.8 43.0 2.6 50.0 5.7 51.0 10.7 52.0 2.9 53.0 2.4 62.0 1.5 63.0 5.2 64.0 1.2 65.0 5.6 74.0 2.1 75.0 2.5 76.0 3.2 77.0 18.5 78.0 10.9 79.0 3.4 89.0 2.6 90.0 2.0 91.0 25.3 92.0 19.7 93.0 2.2 102.0 3.1 103.0 16.2 104.0 27.4 105.0 3.1 107.0 2.7 115.0 3.6 116.0 1.0 117.0 3.4 118.0 5.3 119.0 11.4 120.0 17.7 121.0 1.6 133.0 1.8 148.0 6.1 149.0 2.6 150.0 100.0 151.0 9.4 165.0 35.2 166.0 4.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H11 N O2 0.05 ml : 0.5 ml CDCl3 4-nitrocumene 
Assign. Shift(ppm)
A 8.140 B 7.379 C 3.026 D 1.288
Hz ppm Int.3260.13 8.158 48 3257.69 8.152 287 3255.62 8.147 103 3250.73 8.134 108 3248.78 8.130 294 3246.22 8.123 45 2955.44 7.396 47 2953.13 7.390 257 2951.29 7.385 93 2946.29 7.373 91 2944.58 7.368 245 2942.14 7.362 37 1223.51 3.062 27 1216.55 3.045 66 1209.72 3.027 89 1202.76 3.010 68 1195.80 2.993 29 522.71 1.308 57 518.43 1.298 1000 511.47 1.280 951
in CDCl3
liquid film
