2-NITROPHENETOLE(610-67-3) 1H NMR
Product Name2-NITROPHENETOLE
CAS610-67-3
Molecular FormulaC8H9NO3
Molecular Weight167.16
InChIInChI=1S/C8H9NO3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3
InChIKey XGLGESCVNJSAQY-UHFFFAOYSA-N
SmilesC1(OCC)=CC=CC=C1[N+]([O-])=O
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MassMS-NW-8702 o-nitrophenetole C8H9NO3 (Mass of molecular ion: 167)
Source Temperature: 270 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 1.6 27.0 9.3 28.0 2.5 29.0 11.8 30.0 6.7 37.0 1.0 38.0 4.7 39.0 13.5 43.0 1.4 50.0 5.7 51.0 9.1 52.0 4.9 53.0 6.5 62.0 2.7 63.0 16.8 64.0 17.0 65.0 30.9 66.0 3.3 74.0 1.6 75.0 2.2 76.0 2.4 77.0 5.8 78.0 7.8 79.0 4.4 80.0 1.7 81.0 25.2 82.0 1.4 91.0 1.9 92.0 9.4 93.0 17.0 94.0 6.2 95.0 2.0 106.0 13.7 107.0 1.1 108.0 1.2 109.0 29.9 110.0 2.1 122.0 13.5 123.0 30.1 124.0 3.6 139.0 100.0 140.0 7.3 167.0 29.9 168.0 3.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H9 N O3 0.04 ml : 0.5 ml CDCl3 o-nitrophenetole 
Assign. Shift(ppm)
A 7.781 B 7.490 C 7.068 D 6.999 E 4.170 F 1.456 J(A,B) = 1.8 HZ. J(A,D) = 7.9 HZ. J(B,C) = 8.7 HZ. J(B,D) = 7.2 HZ. J(C,D) = 1.3 HZ. J(E,F) = 7.0 HZ.
Hz ppm Int.702.19 7.841 100 700.56 7.823 138 694.38 7.754 120 692.63 7.734 172 681.06 7.605 67 679.31 7.585 67 673.94 7.526 92 672.06 7.505 122 670.81 7.491 110 665.31 7.429 138 663.50 7.409 126 636.38 7.106 194 634.06 7.080 180 632.75 7.066 85 628.94 7.023 101 627.63 7.008 124 627.00 7.001 151 626.25 6.993 152 625.69 6.987 128 624.94 6.978 114 619.00 6.912 81 617.69 6.897 72 384.50 4.294 117 377.44 4.215 391 370.44 4.137 411 363.56 4.060 143 137.25 1.533 510 130.31 1.456 1000 123.31 1.377 446
in CDCl3
liquid film
