产品名称:4-(2-羟乙氧基)水杨酸甲酯

CAS:

分子式:C10H12O5

分子量: 212.2

InChI:InChI=1S/C10H12O5/c1-14-10(13)8-3-2-7(6-9(8)12)15-5-4-11/h2-3,6,11-12H,4-5H2,1H3

InChIKey: MSVWMHXBXJHRNN-UHFFFAOYSA-N

Smiles:C1(C(=O)OC)C=CC(OCCO)=CC=1O

Mass

MS-IW-1767          
methyl 4-(2-hydroxyethoxy)salicylate
C10H12O5            (Mass of molecular ion:    212)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      27.0       1.9
      29.0       1.2
      31.0       1.1
      39.0       2.1
      43.0       1.4
      44.0       1.4
      45.0       6.3
      51.0       3.2
      52.0       2.4
      53.0       4.9
      55.0       1.3
      59.0       1.7
      62.0       1.3
      63.0       4.4
      64.0       2.1
      65.0       1.5
      69.0       4.6
      79.0       2.5
      80.0       5.7
      81.0       4.2
      91.0       3.2
      92.0       1.9
      94.0       1.2
      95.0       4.8
     107.0       3.6
     108.0      24.3
     109.0       3.8
     119.0       2.8
     120.0       2.2
     121.0       2.0
     125.0       1.4
     126.0       2.0
     136.0      56.6
     137.0     100.0
     138.0       8.1
     139.0       1.2
     140.0       5.3
     149.0       5.9
     150.0       3.9
     151.0       3.6
     168.0      28.1
     169.0      32.1
     170.0       3.0
     179.0       1.7
     180.0      19.3
     181.0      10.1
     182.0       1.1
     212.0      52.9
     213.0       5.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₂ O₅	0.034 g : 0.5 ml CDCl₃
methyl 4-(2-hydroxyethoxy)salicylate

    Assign.     Shift(ppm)

      A            10.98
      B             7.733
      C             6.452
      D             6.449
      E             4.088
      F             3.967
      G             3.910
      J             2.4

     Hz     ppm     Int.

   4386.59  10.977    368
   3095.40   7.746    128
   3089.60   7.731     30
   3086.09   7.722    141
   2584.53   6.467     62
   2582.09   6.461    144
   2578.58   6.453    141
   2576.45   6.447    173
   2574.92   6.443    164
   2572.48   6.437     44
   1639.10   4.102     99
   1637.73   4.098     36
   1635.13   4.092    147
   1633.61   4.088     93
   1630.10   4.079    166
   1589.66   3.978    133
   1586.15   3.969     87
   1584.93   3.966    133
   1582.18   3.959     37
   1580.66   3.956     92
   1563.72   3.913   1000

in CDCl3

KBr disc

nujol mull

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