1-PHENYLPYRROLE(635-90-5) IR1
Product Name1-PHENYLPYRROLE
CAS635-90-5
Molecular FormulaC10H9N
Molecular Weight143.19
InChIInChI=1S/C10H9N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-9H
InChIKey GEZGAZKEOUKLBR-UHFFFAOYSA-N
SmilesN1(C2=CC=CC=C2)C=CC=C1
-
MassMS-NW-6787 1-phenylpyrrole C10H9N (Mass of molecular ion: 143)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 1.3 28.0 1.3 38.0 1.7 39.0 6.1 40.0 1.2 41.0 1.0 50.0 4.0 51.0 12.5 52.0 1.5 58.5 2.3 63.0 2.4 64.0 1.1 65.0 1.3 70.5 1.1 71.5 3.0 74.0 1.2 75.0 1.1 76.0 1.4 77.0 12.4 78.0 1.2 89.0 3.3 90.0 2.9 103.0 1.5 104.0 5.2 114.0 1.2 115.0 40.8 116.0 19.0 117.0 7.3 141.0 1.4 142.0 7.0 143.0 100.0 144.0 11.6
400 MHz in CDCl3
90 MHz in CDCl3
-
1H NMR 399.65 MHz C10 H9 N 0.031 g : 0.5 ml CDCl3 1-phenylpyrrole 
Assign. Shift(ppm)
A 7.40 B 7.38 C 7.223 D 7.082 E 6.345
Hz ppm Int.2968.26 7.428 50 2967.16 7.425 121 2966.80 7.424 139 2965.94 7.422 96 2964.72 7.419 98 2960.69 7.409 192 2959.84 7.407 109 2958.86 7.404 264 2958.25 7.403 719 2957.03 7.400 219 2954.96 7.394 114 2953.49 7.391 251 2952.15 7.387 801 2951.66 7.386 956 2950.20 7.382 1000 2947.14 7.375 79 2945.92 7.372 106 2944.95 7.369 100 2943.73 7.366 212 2942.63 7.364 84 2941.53 7.361 68 2895.26 7.245 145 2893.31 7.240 169 2890.87 7.234 95 2889.16 7.230 134 2888.67 7.229 131 2887.33 7.225 127 2886.72 7.224 214 2886.11 7.222 134 2885.25 7.220 122 2884.28 7.218 94 2882.69 7.214 109 2880.13 7.207 155 2878.05 7.202 103 2836.18 7.097 39 2832.64 7.088 722 2830.44 7.083 875 2828.13 7.077 750 2541.50 6.360 38 2537.84 6.351 658 2535.64 6.345 828 2533.45 6.340 661
-
1H NMR 89.56 MHz C10 H9 N 0.047 g : 0.5 ml CDCl3 1-phenylpyrrole Assign. Shift(ppm)
A 7.39 B 7.37 C 7.21 D 7.070 E 6.335 A,B AND C WERE CONFIRMED BY LAOCN PROGRAM.
Hz ppm Int.664.38 7.419 116 663.75 7.412 152 663.06 7.404 167 662.50 7.398 180 661.13 7.382 112 659.19 7.361 1000 656.75 7.334 89 654.94 7.313 47 654.38 7.307 38 653.50 7.297 32 652.50 7.286 111 649.81 7.256 79 648.31 7.239 60 647.88 7.235 44 646.88 7.223 42 645.50 7.208 43 643.94 7.191 63 642.88 7.179 34 635.50 7.096 280 633.38 7.073 373 631.06 7.047 327 569.63 6.361 271 567.38 6.336 342 565.19 6.311 253
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
