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MassMS-IW-4954 2-mercapto-4(3H)-quinazolinone C8H6N2OS (Mass of molecular ion: 178)
Source Temperature: 170 °C Sample Temperature: 200 °C Direct, 75 eV
38.0 1.7 39.0 2.6 50.0 2.2 51.0 1.1 52.0 1.8 59.0 1.2 62.0 1.7 63.0 6.6 64.0 7.8 65.0 2.7 73.0 1.3 74.0 1.3 75.0 1.9 76.0 1.8 89.0 2.5 90.0 9.3 91.0 6.3 92.0 22.9 93.0 1.6 117.0 3.4 118.0 2.3 119.0 41.5 120.0 39.1 121.0 3.1 122.0 2.3 144.0 1.1 145.0 7.7 146.0 1.3 149.0 1.5 150.0 4.3 160.0 1.3 162.0 2.0 177.0 1.3 178.0 100.0 179.0 10.7 180.0 5.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H6 N2 O S 0.030 g : 0.5 ml DMSO-d6 2-mercapto-4(3H)-quinazolinone 
Assign. Shift(ppm)
A *1 12.73 B *1 12.50 C 7.953 D 7.744 E 7.383 F 7.334
Hz ppm Int.5087.08 12.729 599 4994.03 12.497 576 3183.43 7.966 691 3181.97 7.962 822 3175.37 7.946 790 3174.09 7.943 869 3104.12 7.768 390 3102.66 7.764 465 3099.54 7.756 69 3096.80 7.749 507 3095.51 7.746 785 3094.41 7.743 713 3088.55 7.729 505 3087.09 7.725 567 2955.03 7.395 1000 2954.66 7.394 983 2946.78 7.374 906 2946.42 7.373 889 2939.27 7.355 514 2938.17 7.352 603 2931.03 7.334 941 2930.48 7.333 863 2926.45 7.323 70 2924.07 7.317 467 2923.15 7.315 532
in DMSO-d6
KBr disc
nujol mull
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