4-Phenylpyrimidine(3438-48-0) IR2
Product Name4-Phenylpyrimidine
CAS3438-48-0
Molecular FormulaC10H8N2
Molecular Weight156.18
InChIInChI=1S/C10H8N2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-8H
InChIKey MKLQPIYLZMLAER-UHFFFAOYSA-N
SmilesC1=NC=CC(C2=CC=CC=C2)=N1
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MassMS-NW-7110 4-phenylpyrimidine C10H8N2 (Mass of molecular ion: 156)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
26.0 7.6 27.0 1.7 28.0 4.6 37.0 1.0 38.0 1.7 39.0 3.8 49.0 1.0 50.0 9.6 51.0 13.5 52.0 8.8 53.0 11.0 61.0 1.1 62.0 2.1 63.0 4.1 64.0 1.2 74.0 4.7 75.0 6.1 76.0 11.9 77.0 9.0 78.0 4.1 79.0 1.9 101.0 3.8 102.0 43.1 103.0 17.7 104.0 5.1 128.0 6.5 129.0 59.1 130.0 6.8 149.0 1.2 155.0 9.2 156.0 100.0 157.0 11.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H8 N2 0.039 g : 0.5 ml CDCl3 4-phenylpyrimidine 
Assign. Shift(ppm)
A 9.267 B 8.746 C 8.083 D 7.697 E 7.60 to 7.40 J(A,D)=1.4HZ. J(B,D)=5.4HZ.
Hz ppm Int.830.56 9.274 503 829.44 9.262 473 786.13 8.778 457 780.81 8.719 502 731.44 8.168 86 729.25 8.143 400 727.69 8.126 262 726.25 8.110 353 725.00 8.096 324 723.56 8.080 364 722.56 8.068 412 720.81 8.049 296 719.44 8.034 526 715.31 7.987 91 692.63 7.734 459 691.19 7.718 452 687.19 7.673 424 685.81 7.658 414 678.94 7.581 139 676.69 7.556 342 675.19 7.539 1000 673.63 7.522 498 671.94 7.503 896 670.75 7.490 488 670.00 7.482 394 668.56 7.465 843 667.38 7.452 231 666.75 7.445 211 666.31 7.440 202 664.56 7.421 119
in CDCl3
KBr disc
nujol mull
