3-PHENYLPHENOL(580-51-8) MS
Product Name3-PHENYLPHENOL
CAS580-51-8
Molecular FormulaC12H10O
Molecular Weight170.21
InChIInChI=1S/C12H10O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,13H
InChIKey UBXYXCRCOKCZIT-UHFFFAOYSA-N
SmilesC1(C2=CC=CC=C2)=CC=CC(O)=C1
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MassMS-NW-4470 biphenyl-3-ol C12H10O (Mass of molecular ion: 170)
Source Temperature: 230 °C Sample Temperature: 180 °C Reservoir, 75 eV
39.0 2.9 50.0 1.5 51.0 2.5 55.0 1.9 57.5 1.3 62.0 1.2 63.0 3.3 65.0 1.3 70.0 1.4 72.0 1.6 74.0 1.2 75.0 1.4 76.0 2.5 77.0 2.0 84.0 2.7 85.0 3.3 89.0 1.7 102.0 1.5 115.0 11.0 116.0 1.6 139.0 4.1 140.0 1.4 141.0 17.9 142.0 3.2 144.0 1.1 151.0 1.3 152.0 2.1 153.0 1.3 168.0 1.9 169.0 8.5 170.0 100.0 171.0 13.1 172.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C12 H10 O 0.041 g : 0.5 ml CDCl3 biphenyl-3-ol 
Assign. Shift(ppm)
A 7.64 to 7.14 B 7.17 C 7.04 D 6.80 E 5.05
Hz ppm Int.681.19 7.606 212 680.06 7.594 147 679.50 7.588 174 677.75 7.568 313 676.06 7.549 311 674.88 7.536 202 674.00 7.526 306 672.75 7.512 702 670.88 7.491 1000 668.44 7.464 426 666.88 7.447 399 666.19 7.439 305 664.13 7.416 675 663.25 7.406 785 661.00 7.381 743 659.06 7.359 481 657.94 7.347 765 656.00 7.325 876 653.75 7.300 603 653.19 7.294 531 652.13 7.282 150 646.38 7.218 597 645.75 7.211 744 643.50 7.186 829 641.94 7.168 578 640.38 7.151 59 637.56 7.119 123 635.94 7.101 272 634.25 7.082 149 632.81 7.066 314 632.25 7.060 409 631.19 7.048 274 630.25 7.038 468 629.63 7.031 455 628.75 7.021 342 628.13 7.014 313 614.13 6.858 387 612.44 6.839 332 611.56 6.829 319 609.94 6.811 257 606.81 6.776 281 605.06 6.756 259 604.25 6.747 242 602.56 6.729 212 452.19 5.050 395
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
