6-PHENYL-2-THIOURACIL(36822-11-4) MS
Product Name6-PHENYL-2-THIOURACIL
CAS36822-11-4
Molecular FormulaC10H8N2OS
Molecular Weight204.25
InChIInChI=1S/C10H8N2OS/c13-9-6-8(11-10(14)12-9)7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)
InChIKey XEKNACRTWJHOCE-UHFFFAOYSA-N
SmilesC1(=S)NC(C2=CC=CC=C2)=CC(=O)N1
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MassMS-NW-7196 6-phenyl-2-thiouracil C10H8N2OS (Mass of molecular ion: 204)
Source Temperature: 150 °C Sample Temperature: 170 °C Direct, 75 eV
17.0 1.4 18.0 6.2 27.0 1.7 28.0 2.1 32.0 1.0 37.0 1.3 38.0 2.2 39.0 6.8 40.0 3.3 41.0 1.0 42.0 2.8 43.0 1.4 45.0 1.4 50.0 8.5 51.0 15.4 52.0 4.2 58.5 1.1 59.0 2.9 60.0 2.3 61.0 1.3 62.0 3.2 63.0 7.9 64.0 1.8 65.0 1.7 68.0 11.3 69.0 5.5 73.0 1.3 74.0 4.2 75.0 4.9 76.0 7.1 77.0 23.5 78.0 4.6 87.0 1.0 88.0 5.7 89.0 12.5 90.0 6.2 91.0 1.8 101.0 1.4 102.0 6.9 103.0 11.4 104.0 57.2 105.0 7.2 116.0 10.7 117.0 13.4 118.0 2.0 121.0 2.0 128.0 1.2 129.0 3.2 134.0 15.7 135.0 1.8 136.0 1.1 144.0 2.1 145.0 14.7 146.0 16.2 147.0 1.8 148.0 1.4 149.0 2.8 171.0 4.1 175.0 1.6 176.0 26.6 177.0 3.5 178.0 1.6 203.0 10.5 204.0 100.0 205.0 13.2 206.0 5.4
400 MHz in DMSO-d6
90 MHz in DMSO-d6
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1H NMR 399.65 MHz C10 H8 N2 O S 0.040 g : 0.5 ml DMSO-d6 6-phenyl-2-thiouracil 
Assign. Shift(ppm)
A *1 12.56 B *1 12.49 C 7.711 D 7.554 E 7.504 F 6.096 90MHZ : HSP-04-952
Hz ppm Int.
5019.31 12.560 299 4993.48 12.495 125 3086.36 7.723 775 3079.40 7.706 945 3077.93 7.702 744 3069.69 7.681 34 3029.02 7.580 129 3027.93 7.577 101 3024.63 7.569 110 3021.70 7.561 474 3019.50 7.556 187 3015.84 7.547 320 3014.55 7.543 462 3013.27 7.540 290 3010.52 7.533 99 3005.76 7.521 775 2998.07 7.502 904 2992.76 7.489 207 2991.11 7.485 344 2989.83 7.482 240 2983.60 7.466 32 2436.48 6.097 1000
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1H NMR 89.56 MHz C10 H8 N2 O S 0.036 g : 0.5 ml DMSO-d6 6-phenyl-2-thiouracil Assign. Shift(ppm)
A 12.48 B 7.70 C 7.59 to 7.380 D 6.084
Hz ppm Int.
1117.93 12.483 276 696.33 7.776 228 694.27 7.753 306 690.52 7.711 351 689.66 7.701 379 686.50 7.666 594 684.36 7.642 242 682.40 7.620 134 681.29 7.608 152 679.83 7.591 241 678.55 7.577 347 675.73 7.546 1000 674.02 7.526 868 670.61 7.488 445 668.55 7.465 421 666.08 7.438 144 665.73 7.434 147 664.28 7.418 147 662.66 7.400 81 662.23 7.395 79 661.63 7.388 81 661.29 7.384 74 660.18 7.372 71 659.75 7.367 74 545.00 6.086 615
in DMSO-d6
KBr disc
nujol mull
