3.4-BIPHENYLDIOL(92-05-7) IR1
Product Name3.4-BIPHENYLDIOL
CAS92-05-7
Molecular FormulaC12H10O2
Molecular Weight186.21
InChIInChI=1S/C12H10O2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-8,13-14H
InChIKey QDNPCYCBQFHNJC-UHFFFAOYSA-N
SmilesC1(C2=CC=CC=C2)=CC=C(O)C(O)=C1
-
MassMS-IW-3860 4-phenylpyrocatechol C12H10O2 (Mass of molecular ion: 186)
Source Temperature: 150 °C Sample Temperature: 110 °C Direct, 75 eV
18.0 1.5 39.0 1.0 50.0 1.1 51.0 2.7 62.0 1.1 63.0 2.1 64.0 1.4 69.0 1.5 69.5 2.7 70.0 3.6 74.0 1.0 75.0 1.2 77.0 2.1 78.0 1.2 89.0 1.2 93.0 5.1 102.0 1.4 113.0 1.0 114.0 1.4 115.0 2.3 127.0 2.2 128.0 4.4 129.0 2.2 138.0 1.1 139.0 20.9 140.0 13.8 141.0 2.0 157.0 4.2 168.0 1.1 170.0 1.8 185.0 2.5 186.0 100.0 187.0 13.2 188.0 1.2 220.0 2.8
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C12 H10 O2 0.035 g : 0.5 ml DMSO-d6 4-phenylpyrocatechol 
Assign. Shift(ppm)
A *1 9.08 B *1 9.05 C 7.527 D 7.394 E 7.263 F 7.069 G 6.947 J 6.847 J(F,G)=2.3HZ J(G,J)=8.2HZ
Hz ppm Int.3628.91 9.081 315 3617.31 9.052 307 3013.67 7.541 567 3012.45 7.538 712 3010.38 7.533 224 3005.25 7.520 908 3004.03 7.517 792 3002.20 7.513 161 2998.66 7.504 42 2976.32 7.448 35 2967.53 7.426 42 2963.01 7.415 531 2961.06 7.410 187 2959.35 7.405 74 2955.57 7.396 861 2949.22 7.380 225 2947.63 7.376 517 2945.80 7.371 107 2936.77 7.349 37 2910.52 7.283 178 2909.30 7.280 331 2907.96 7.277 196 2905.52 7.271 37 2903.69 7.266 167 2901.86 7.262 463 2900.15 7.257 162 2895.75 7.246 120 2894.53 7.243 201 2893.31 7.240 114 2826.29 7.072 795 2823.97 7.067 863 2782.59 6.963 408 2780.27 6.957 361 2774.41 6.943 572 2772.09 6.937 546 2739.99 6.856 1000 2731.81 6.836 713 2729.37 6.830 56
in DMSO-d6
KBr disc
nujol mull
