Nitrosobenzene(586-96-9) ESR
Product NameNitrosobenzene
CAS586-96-9
Molecular FormulaC6H5NO
Molecular Weight107.11
InChIInChI=1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H
InChIKey NLRKCXQQSUWLCH-UHFFFAOYSA-N
SmilesC1(N=O)=CC=CC=C1
90 MHz in CDCl3
parameter in CDCl3
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1H NMR 89.56 MHz C6 H5 N O 0.040 g : 0.5 ml CDCl3 nitrosobenzene 
Assign. Shift(ppm)
A 7.907 B 7.20 to 7.75
Hz ppm Int.711.81 7.948 343 709.88 7.927 419 708.19 7.908 240 707.19 7.897 232 706.81 7.893 229 704.56 7.867 490 702.06 7.839 782 700.50 7.822 203 698.25 7.797 118 696.25 7.775 79 691.50 7.722 174 690.50 7.710 241 688.63 7.690 194 687.31 7.675 546 685.94 7.660 1000 684.00 7.638 495 683.06 7.627 398 680.44 7.598 292 678.63 7.578 460 676.56 7.555 164 675.13 7.539 137 673.56 7.521 162 672.00 7.504 112 670.06 7.482 118
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1H NMR 300 MHz C6 H5 N O 10 wt% in CCl4 nitrosobenzene Parameter ppm Hz
D(A) 7.813 D(B) 7.547 D(C) 7.610 J(A,A') 1.97 J(A,B) 7.91 J(A,B') 0.56 J(A,C) 1.28 J(A',B) 0.56 J(A',B') 7.91 J(A',C) 1.28 J(B,B') 1.36 J(B,C) 7.41 J(B',C) 7.41 CASTELLANO,S. ET AL. TETRAHEDRON LETT. 1967, 5205
Hz ppm Int.2351.34 7.838 77 2348.94 7.830 582 2347.57 7.825 715 2345.96 7.820 385 2342.96 7.810 255 2340.82 7.803 1000 2339.20 7.797 726 2292.99 7.643 61 2291.56 7.639 123 2290.11 7.634 79 2287.54 7.625 89 2284.29 7.614 443 2281.70 7.606 148 2278.82 7.596 318 2277.27 7.591 532 2275.67 7.586 252 2272.81 7.576 151 2271.18 7.571 589 2270.45 7.568 845 2269.06 7.564 377 2264.99 7.550 387 2264.48 7.548 391 2263.10 7.544 848 2261.33 7.538 187 2257.89 7.526 140 2256.22 7.521 289 2254.57 7.515 182
in CDCl3
KBr disc
nujol mull
ANION RADICAL, ELECTROLYTIC REDUCTION IN CH3CN
OXIDATION WITH AIBN IN TOLUENE
OXID. OF PHENOL
ANION RADICAL, ELECTRORED. IN LIQ. NH3
OXIDATION WITH AIBN IN BENZENE
CATION RADICAL, ELECTROLYSIS IN CH3CN-CH3NO2
ANION RADICAL, REACTION WITH (C6H5)NH(OH)
