Product Name1-(4-NITROPHENYL)-2-THIOUREA
CAS3696-22-8
Molecular FormulaC7H7N3O2S
Molecular Weight197.21
InChIInChI=1S/C7H7N3O2S/c8-7(13)9-5-1-3-6(4-2-5)10(11)12/h1-4H,(H3,8,9,13)
InChIKey BLYAANPIHFKKMQ-UHFFFAOYSA-N
SmilesN(C1=CC=C([N+]([O-])=O)C=C1)C(N)=S
Mass
MS-NW-8036 1-(p-nitrophenyl)thiourea C7H7N3O2S (Mass of molecular ion: 197)
Source Temperature: 230 °C Sample Temperature: 170 °C Direct, 75 eV
16.0 1.1 17.0 1.6 18.0 1.9 26.0 1.5 27.0 2.6 28.0 9.8 30.0 11.3 32.0 4.2 33.0 1.9 34.0 2.7 37.0 4.7 38.0 9.7 39.0 21.2 40.0 3.0 41.0 4.2 42.0 1.8 43.0 19.5 44.0 1.1 45.0 3.1 46.0 1.3 49.0 1.2 50.0 20.8 51.0 9.7 52.0 10.8 53.0 7.7 54.0 2.3 58.0 1.3 59.0 5.0 60.0 57.3 61.0 4.9 62.0 9.3 63.0 29.0 64.0 18.0 65.0 46.0 66.0 6.5 69.0 3.9 70.0 2.1 73.0 1.7 74.0 8.9 75.0 12.1 76.0 13.9 77.0 5.6 78.0 4.2 79.0 3.8 80.0 14.0 81.0 2.6 82.0 1.6 83.0 2.5 84.0 1.4 88.0 1.4 89.0 1.7 90.0 31.6 91.0 9.8 92.0 32.6 93.0 4.0 95.0 1.2 96.0 3.5 97.0 1.4 102.0 1.0 105.0 13.3 106.0 3.5 107.0 5.8 108.0 48.6 109.0 7.1 117.0 3.4 118.0 13.7 119.0 1.8 122.0 12.4 123.0 3.4 124.0 1.5 125.0 2.5 133.0 18.1 134.0 16.5 135.0 2.6 138.0 69.4 139.0 6.0 147.0 1.0 149.0 1.4 150.0 16.6 151.0 2.0 152.0 1.2 155.0 7.7 163.0 17.4 164.0 17.8 165.0 1.9 167.0 2.1 180.0 33.0 181.0 4.1 182.0 2.3 196.0 7.9 197.0 100.0 198.0 11.9 199.0 5.7
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C7 H7 N3 O2 S | 0.038 g : 0.5 ml DMSO-d6 |
1-(p-nitrophenyl)thiourea |
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Assign. Shift(ppm) |
Hz ppm Int.
4103.84 10.269 464 3283.44 8.216 134 3280.51 8.209 825 3278.50 8.204 370 3273.19 8.191 346 3271.17 8.186 1000 3268.24 8.178 166 3159.26 7.906 167 3156.33 7.898 923 3154.31 7.893 394 3149.18 7.880 322 3147.17 7.875 844 3144.24 7.868 141
in DMSO-d6
KBr disc
nujol mull
1-(4-NITROPHENYL)-2-THIOUREA(3696-22-8) MS Atlas of Related Products
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