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MassMS-IW-0694 isoquinoline 2-oxide C9H7NO (Mass of molecular ion: 145)
Source Temperature: 160 °C Sample Temperature: 100 °C Direct, 75 eV
39.0 3.2 50.0 3.0 51.0 5.2 52.0 1.1 62.0 2.8 63.0 8.0 64.0 2.7 65.0 1.1 72.5 4.2 74.0 2.2 75.0 4.4 76.0 3.9 77.0 2.9 87.0 1.1 88.0 1.9 89.0 28.3 90.0 33.8 91.0 2.9 101.0 4.9 102.0 8.6 103.0 2.2 113.0 1.6 114.0 1.2 115.0 1.5 116.0 4.4 117.0 4.7 118.0 26.8 119.0 2.4 128.0 7.7 129.0 24.6 130.0 2.6 145.0 100.0 146.0 10.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C9H7NO 0.040 g : 0.5 ml CDCl3 isoquinoline 2-oxide 
Assign. Shift(ppm)
A 8.777 B 8.145 C 7.794 D 7.721 E 7.681 F *1 7.62 G *1 7.60
Hz ppm Int.3508.55 8.777 959 3260.50 8.156 667 3258.79 8.152 669 3253.42 8.138 720 3251.71 8.134 712 3120.24 7.805 470 3119.88 7.804 453 3112.92 7.787 540 3111.46 7.783 518 3105.60 7.769 43 3091.68 7.734 382 3089.97 7.730 445 3084.36 7.716 380 3082.65 7.711 638 3074.10 7.690 776 3067.02 7.672 719 3055.06 7.642 248 3053.59 7.639 332 3048.10 7.625 744 3046.51 7.621 654 3042.49 7.611 779 3040.78 7.607 964 3040.29 7.605 1000 3038.58 7.601 581 3034.80 7.592 595 3033.21 7.588 636 3027.71 7.574 240 3026.25 7.570 194
in CDCl3
KBr disc
nujol mull
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