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MassMS-IW-0861 6-hydroxy-1,3-benzoxathiol-2-one C7H4O3S (Mass of molecular ion: 168)
Source Temperature: 130 °C Sample Temperature: 120 °C Reservoir, 75 eV
18.0 2.4 28.0 1.6 38.0 1.0 39.0 4.1 44.0 1.0 45.0 3.5 50.0 1.1 51.0 2.2 52.0 1.2 53.0 1.5 55.0 5.4 58.0 3.1 62.0 1.8 67.0 1.0 68.0 1.8 69.0 7.8 70.0 6.2 71.0 2.0 79.0 3.1 83.0 1.3 84.0 6.8 85.0 3.1 95.0 2.9 96.0 3.0 98.0 1.1 111.0 2.6 112.0 48.8 113.0 3.3 114.0 2.4 123.0 1.8 124.0 16.3 125.0 1.2 140.0 12.2 168.0 100.0 169.0 9.0 170.0 6.1 226.0 1.3
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H4 O3 S 0.037 g : 0.5 ml DMSO-d6 6-hydroxy-1,3-benzoxathiol-2-one 
Assign. Shift(ppm)
A 10.1 B 7.500 C 6.882 D 6.789
Hz ppm Int.4033.66 10.093 924 3003.54 7.516 886 3000.03 7.507 25 2998.50 7.503 24 2995.00 7.495 954 2751.16 6.884 898 2749.02 6.879 1000 2718.96 6.804 707 2716.52 6.798 641 2713.47 6.790 23 2710.27 6.782 699 2707.98 6.776 622
in DMSO-d6
KBr disc
nujol mull
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