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產(chǎn)品名稱:3,5-雙三氟甲基苯甲酰胺
CAS:22227-26-5
分子式:C9H5F6NO
分子量: 257.13
InChI:InChI=1S/C9H5F6NO/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H2,16,17)
InChIKey: YNOPIKHMZIOWHS-UHFFFAOYSA-N
Smiles:C(N)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1
Mass
MS-IW-9454 3,5-bis(trifluoromethyl)benzamide C9H5F6NO (Mass of molecular ion: 257)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 2.6 28.0 2.9 31.0 1.3 44.0 19.3 50.0 2.6 51.0 1.4 57.0 1.5 69.0 5.8 74.0 4.0 75.0 9.8 87.0 1.0 93.0 1.7 94.0 1.8 95.0 1.1 97.0 1.6 99.0 3.0 111.0 1.4 113.0 1.5 123.0 1.4 125.0 3.9 143.0 9.0 144.0 8.5 145.0 2.8 162.0 2.3 163.0 16.9 164.0 1.9 170.0 4.3 188.0 1.1 189.0 1.7 190.0 1.2 193.0 3.5 194.0 5.7 195.0 1.5 212.0 1.3 213.0 73.2 214.0 6.9 220.0 3.4 238.0 20.0 239.0 7.3 240.0 1.8 241.0 100.0 242.0 9.9 257.0 40.7 258.0 4.3
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C9 H5 F6 N O | 0.039 g : 0.5 ml DMSO-d6 |
3,5-bis(trifluoromethyl)benzamide |
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Assign. Shift(ppm) |
Hz ppm Int.
3433.72 8.592 23 3423.95 8.568 992 3423.46 8.567 1000 3406.74 8.525 222 3317.87 8.302 454 3167.72 7.927 224
in DMSO-d6
KBr disc
nujol mull
3,5-雙三氟甲基苯甲酰胺(22227-26-5)核磁圖(13CNMR)相關(guān)產(chǎn)品圖譜