PTH-GLYCINE(2010-15-3) 1H NMR
Product NamePTH-GLYCINE
CAS2010-15-3
Molecular FormulaC9H8N2OS
Molecular Weight192.24
InChIInChI=1S/C9H8N2OS/c12-8-6-10-9(13)11(8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)
InChIKey ZZRIQDWDJVLELF-UHFFFAOYSA-N
SmilesC1(=S)NCC(=O)N1C1=CC=CC=C1
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MassMS-NW-1951 3-phenyl-2-thioxo-4-imidazolidone C9H8N2OS (Mass of molecular ion: 192)
Source Temperature: 200 °C Sample Temperature: 200 °C Direct, 75 eV
17.0 1.1 18.0 5.5 27.0 2.3 28.0 5.7 29.0 2.6 37.0 1.4 38.0 2.8 39.0 5.6 41.0 1.4 42.0 1.3 44.0 1.3 45.0 6.3 46.0 1.7 50.0 5.6 51.0 19.3 52.0 2.3 59.0 1.0 62.0 1.1 63.0 3.9 64.0 4.8 65.0 4.0 69.0 1.2 72.0 8.1 73.0 19.0 74.0 2.5 75.0 2.5 76.0 3.4 77.0 57.5 78.0 5.2 82.0 5.8 90.0 1.5 91.0 10.9 92.0 8.7 93.0 4.4 103.0 3.8 104.0 10.4 105.0 2.1 106.0 3.9 108.0 2.1 109.0 3.2 118.0 1.5 119.0 3.5 120.0 26.3 121.0 2.4 131.0 4.5 132.0 1.2 135.0 55.8 136.0 11.9 137.0 3.3 159.0 3.5 163.0 13.6 164.0 1.7 190.0 1.8 191.0 16.7 192.0 100.0 193.0 11.6 194.0 5.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C9 H8 N2 O S 0.037 g : 0.5 ml DMSO-d6 3-phenyl-2-thioxo-4-imidazolidone 
Assign. Shift(ppm)
A 10.4 B 7.479 C 7.429 D 7.281 E 4.293
Hz ppm Int.4158.63 10.406 223 3000.18 7.508 135 2998.81 7.504 243 2997.13 7.500 115 2991.79 7.487 602 2990.26 7.483 342 2985.69 7.471 240 2984.31 7.468 535 2983.55 7.466 404 2981.72 7.461 110 2975.62 7.446 166 2974.09 7.442 329 2972.72 7.439 215 2969.21 7.430 116 2966.77 7.424 329 2964.02 7.417 83 2960.82 7.409 72 2959.44 7.406 106 2958.22 7.403 59 2915.34 7.295 479 2913.97 7.292 744 2911.83 7.286 183 2908.48 7.278 276 2906.95 7.274 501 2906.49 7.273 446 2905.73 7.271 440 2903.14 7.265 73 1716.31 4.295 983 1715.09 4.292 1000
in DMSO-d6
KBr disc
