366-77-8

3-(4-氟苯甲酰)丙酸(366-77-8)紅外圖譜(IR1)

產品名稱:3-(4-氟苯甲酰)丙酸

CAS:366-77-8

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

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

¹H NMR	399.65 MHz
C₁₀ H₉ F O₃	0.045 g : 0.5 ml CDCl₃
3-(p-fluorobenzoyl)propionic acid

    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