163451-82-9

4-(2-羥基乙氧基)水楊酸(163451-82-9)核磁圖(¹³CNMR)

產(chǎn)品名稱:4-(2-羥基乙氧基)水楊酸

CAS:163451-82-9

分子式:C9H10O5

分子量: 198.17

InChI:InChI=1S/C9H10O5/c10-3-4-14-6-1-2-7(9(12)13)8(11)5-6/h1-2,5,10-11H,3-4H2,(H,12,13)

InChIKey: INEIMLMPQGJCGK-UHFFFAOYSA-N

Smiles:C(O)(=O)C1=CC=C(OCCO)C=C1O

Mass

MS-IW-1769          
4-(2-hydroxyethoxy)salicylic acid
C9H10O5             (Mass of molecular ion:    198)

   Source Temperature: 100 °C
   Sample Temperature:  90 °C
   Direct, 75 eV

      18.0       1.1
      19.0       1.0
      27.0       3.8
      28.0       2.0
      29.0       2.1
      31.0       2.1
      38.0       1.5
      39.0       4.8
      43.0       2.6
      44.0       2.6
      45.0      10.5
      50.0       1.2
      51.0       4.1
      52.0       3.3
      53.0       5.8
      55.0       1.8
      62.0       1.7
      63.0       5.6
      64.0       1.9
      65.0       2.0
      66.0       1.1
      69.0       6.0
      79.0       2.3
      80.0       7.8
      81.0       6.1
      91.0       3.2
      92.0       1.7
      93.0       1.5
      94.0       1.3
      95.0       4.6
     107.0       2.8
     108.0      31.2
     109.0       5.7
     110.0       2.7
     111.0       2.5
     112.0       1.0
     119.0       2.9
     120.0       1.6
     121.0       1.8
     126.0       1.8
     136.0      56.5
     137.0     100.0
     138.0       8.5
     149.0       7.2
     150.0       4.4
     154.0      14.3
     155.0      26.9
     156.0       2.2
     179.0       1.4
     180.0      31.5
     181.0       4.1
     198.0      65.6
     199.0       6.6

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₉ H₁₀ O₅	0.031 g : 0.5 ml DMSO-d₆
4-(2-hydroxyethoxy)salicylic acid

    Assign.     Shift(ppm)

      A            11.5
      B             7.713
      C             6.515
      D             6.490
      E             5.
      F             4.043
      G             3.728

     Hz     ppm     Int.

   3087.09   7.725    801
   3082.69   7.714     33
   3078.48   7.703    859
   2609.76   6.531    462
   2607.19   6.524    615
   2600.96   6.509    348
   2598.58   6.503    721
   2594.92   6.493   1000
   2592.54   6.488    614
   1621.21   4.057    585
   1616.44   4.045    864
   1613.88   4.039    256
   1611.32   4.032    662
   1494.64   3.740    666
   1492.26   3.734    271
   1489.69   3.728    842
   1484.93   3.716    575
   1480.17   3.704     40

in DMSO-d6