產(chǎn)品名稱:4-溴苯基異硫氰酸酯
CAS:1985-12-2
分子式:C7H4BrNS
分子量: 214.08
InChI:InChI=1S/C7H4BrNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
InChIKey: XQACWEBGSZBLRG-UHFFFAOYSA-N
Smiles:C1(Br)=CC=C(N=C=S)C=C1
Mass
MS-IW-0040 p-bromophenyl isothiocyanate C7H4BrNS (Mass of molecular ion: 213)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
37.0 2.3 38.0 2.6 39.0 2.2 44.0 1.0 49.0 1.3 50.0 14.1 51.0 4.2 61.0 1.5 62.0 2.1 63.0 5.4 64.0 3.3 66.5 1.5 67.0 6.4 70.0 1.1 73.0 1.6 74.0 7.6 75.0 18.9 76.0 13.8 83.0 1.4 90.0 11.4 102.0 4.6 106.5 4.6 107.0 4.5 107.5 4.7 108.0 1.5 133.0 2.1 134.0 37.6 135.0 3.4 136.0 1.8 155.0 18.2 156.0 1.2 157.0 17.7 158.0 1.1 181.0 1.6 183.0 1.6 213.0 98.3 214.0 8.8 215.0 100.0 216.0 8.8 217.0 4.7
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C7 H4 Br N S | 0.048 g : 0.5 ml CDCl3 |
p-bromophenyl isothiocyanate |
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Assign. Shift(ppm) |
Hz ppm Int.
2993.04 7.490 40 2990.84 7.484 145 2988.04 7.477 945 2985.96 7.472 340 2981.32 7.460 362 2979.25 7.455 998 2976.44 7.448 155 2838.87 7.104 160 2836.06 7.097 1000 2833.98 7.092 343 2829.35 7.080 330 2827.27 7.075 872 2824.46 7.068 128
in CDCl3
KBr disc
nujol mull
4-溴苯基異硫氰酸酯(1985-12-2)質(zhì)譜(MS)相關(guān)產(chǎn)品圖譜