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366-77-8

3-(4-氟苯甲酰)丙酸(366-77-8)Raman光谱

分子式:C10H9FO3

分子量: 196.18

InChI:InChI=1S/C10H9FO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14)

InChIKey: WUYWHIAAQYQKPP-UHFFFAOYSA-N

Smiles:C1(C=CC(F)=CC=1)C(=O)CCC(=O)O

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    Mass

    MS-IW-9830          
    3-(p-fluorobenzoyl)propionic acid
    C10H9FO3            (Mass of molecular ion:    196)
    

       Source Temperature: 140 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          18.0       1.4
          27.0       2.0
          28.0       1.0
          45.0       1.5
          50.0       1.8
          51.0       1.4
          55.0       2.4
          69.0       1.4
          73.0       1.2
          74.0       1.0
          75.0       7.7
          94.0       1.6
          95.0      29.2
          96.0       2.3
         123.0     100.0
         124.0       7.7
         149.0       2.4
         150.0       1.2
         178.0       5.3
         179.0       1.5
         196.0       5.6
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C10 H9 F O3 0.045 g : 0.5 ml CDCl3
    3-(p-fluorobenzoyl)propionic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11. B 8.011 C 7.139 D 3.285 E 2.810

         Hz     ppm     Int.
    

       3216.04   8.048     45
       3211.64   8.037    108
       3208.89   8.030    582
       3206.70   8.024    251
       3203.40   8.016    629
       3201.93   8.012    349
       3199.92   8.007    644
       3196.62   7.999    244
       3194.61   7.994    583
       3191.68   7.987     82
       2864.72   7.169    111
       2861.79   7.161    628
       2859.78   7.156    214
       2853.18   7.140   1000
       2846.59   7.123    204
       2844.58   7.118    596
       2841.65   7.111     80
       1319.35   3.302    532
       1312.94   3.286    898
       1306.34   3.269    606
       1300.85   3.255     35
       1300.48   3.255     35
       1135.08   2.841     53
       1129.59   2.827    612
       1122.99   2.810    920
       1116.58   2.794    550
       1110.72   2.780     41
       1110.36   2.779     40
    

in CDCl3

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KBr disc

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nujol mull

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