Fenobucarb(3766-81-2) 1H NMR
Product NameFenobucarb
CAS3766-81-2
Molecular FormulaC12H17NO2
Molecular Weight207.27
InChIInChI=1S/C12H17NO2/c1-4-9(2)10-7-5-6-8-11(10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)
InChIKey DIRFUJHNVNOBMY-UHFFFAOYSA-N
SmilesC1(OC(=O)NC)=CC=CC=C1C(C)CC
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MassMS-IW-3498 O-sec-butylphenyl methylcarbamate C12H17NO2 (Mass of molecular ion: 207)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 1.0 27.0 1.2 28.0 1.1 29.0 1.0 39.0 2.1 41.0 1.2 51.0 1.5 55.0 1.6 57.0 1.1 58.0 3.1 65.0 2.1 77.0 7.0 78.0 1.2 79.0 1.0 91.0 7.4 92.0 1.0 93.0 2.0 103.0 6.7 107.0 7.2 115.0 1.4 120.0 1.1 121.0 100.0 122.0 9.0 135.0 2.4 150.0 31.0 151.0 3.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H17 N O2 0.05 ml : 0.5 ml CDCl3 o-sec-butylphenyl methylcarbamate 
Assign. Shift(ppm)
A 7.22 B 7.04 C 7.15 D 5.36 E 2.860 F 2.748 G 1.62 to 1.52 J 1.183 K 0.813 J(F,D)=5.2Hz
Hz ppm Int.2892.46 7.238 155 2888.79 7.229 176 2882.93 7.214 238 2879.27 7.205 57 2866.33 7.173 125 2862.55 7.163 440 2859.01 7.154 377 2856.69 7.148 369 2853.15 7.140 381 2849.49 7.130 79 2821.90 7.061 71 2818.12 7.052 234 2814.58 7.043 193 2812.13 7.037 151 2808.72 7.028 161 2805.18 7.020 32 2143.07 5.363 103 2139.16 5.353 108 1154.66 2.890 95 1147.58 2.872 201 1140.50 2.854 253 1133.54 2.837 125 1126.59 2.819 34 1100.59 2.754 1000 1095.70 2.742 983 653.44 1.636 46 646.00 1.617 83 643.43 1.610 44 640.01 1.602 151 636.84 1.594 82 632.57 1.583 218 629.39 1.575 164 625.00 1.564 169 622.19 1.557 215 615.11 1.540 163 608.40 1.523 80 601.56 1.506 41 476.44 1.193 932 469.48 1.175 896 332.28 0.832 566 324.83 0.813 947 317.38 0.795 461
in CDCl3
liquid film
