產(chǎn)品名稱:3-硝基-5-(三氟甲基)苯甲酸
CAS:328-80-3
分子式:C8H4F3NO4
分子量: 235.12
InChI:InChI=1S/C8H4F3NO4/c9-8(10,11)5-1-4(7(13)14)2-6(3-5)12(15)16/h1-3H,(H,13,14)
InChIKey: ODCLHXGXGFBBTA-UHFFFAOYSA-N
Smiles:C(O)(=O)C1=CC(C(F)(F)F)=CC([N+]([O-])=O)=C1
Mass
MS-IW-3638 3-nitro-5-(trifluoromethyl)benzoic acid C8H4F3NO4 (Mass of molecular ion: 235)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
17.0 1.5 18.0 7.3 28.0 2.0 29.0 1.2 30.0 28.2 31.0 1.5 37.0 1.7 38.0 2.4 39.0 2.5 44.0 1.8 45.0 5.6 50.0 8.8 51.0 3.0 53.0 2.9 57.0 4.0 61.0 1.8 62.0 3.3 63.0 9.9 64.0 1.6 68.0 1.0 69.0 6.8 73.0 2.6 74.0 14.5 75.0 28.8 76.0 2.4 81.0 1.8 83.0 14.3 88.0 1.6 92.0 1.6 93.0 3.6 94.0 5.3 95.0 4.5 99.0 3.8 101.0 4.5 107.0 1.2 112.0 1.1 113.0 32.2 114.0 4.8 119.0 1.1 121.0 1.0 123.0 3.1 125.0 7.2 129.0 3.9 132.0 5.2 133.0 58.9 134.0 4.0 139.0 1.0 141.0 11.2 142.0 1.2 143.0 27.3 144.0 21.1 145.0 4.8 149.0 5.1 160.0 3.2 161.0 18.4 162.0 1.4 169.0 1.1 170.0 2.9 171.0 4.2 172.0 9.5 177.0 3.4 189.0 59.0 190.0 5.6 205.0 8.7 216.0 20.0 217.0 2.0 218.0 6.2 219.0 2.3 235.0 100.0 236.0 9.5 237.0 1.3
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C8 H4 F3 N O4 | 0.050 g : 0.5 ml CDCl3 |
3-nitro-5-(trifluoromethyl)benzoic acid |
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Assign. Shift(ppm) |
Hz ppm Int.
4224.73 10.572 108 3657.10 9.151 675 3655.45 9.147 970 3653.99 9.143 681 3504.34 8.769 924 3496.83 8.750 33 3496.28 8.749 30 3495.73 8.747 28 3495.37 8.747 28 3494.82 8.745 27 3485.84 8.723 1000
in CDCl3
KBr disc
nujol mull
3-硝基-5-(三氟甲基)苯甲酸(328-80-3)質(zhì)譜(MS)相關(guān)產(chǎn)品圖譜