110104-60-4

(E)4-氯-3-甲氧基-2-丁稀酸甲酯(110104-60-4)红外图谱(IR1)

产品名称:(E)4-氯-3-甲氧基-2-丁稀酸甲酯

CAS:110104-60-4

分子式:C6H9ClO3

分子量: 164.59

InChI:InChI=1S/C6H9ClO3/c1-9-5(4-7)3-6(8)10-2/h3H,4H2,1-2H3/b5-3+

InChIKey: JNYMRXDQVPIONI-HWKANZROSA-N

Smiles:C(OC)(=O)/C=C(/OC)\CCl

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-5081          
methyl (E)-4-chloro-3-methoxy-2-butenoate
C6H9ClO3            (Mass of molecular ion:    164)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       8.4
      26.0       1.8
      27.0       9.2
      28.0       2.3
      29.0       4.2
      31.0       3.0
      37.0       1.2
      38.0       3.2
      39.0      15.3
      40.0       8.6
      41.0       6.1
      42.0       3.8
      43.0       3.1
      45.0       3.7
      47.0       2.0
      49.0       4.8
      51.0       2.2
      53.0       3.9
      55.0      19.0
      56.0       1.8
      57.0       1.7
      59.0      24.7
      61.0       1.7
      67.0      14.5
      68.0      25.8
      69.0      15.9
      70.0       1.1
      71.0       1.2
      73.0       4.2
      75.0       3.5
      77.0       3.5
      79.0       1.6
      83.0      26.6
      84.0       1.5
      85.0       2.9
      89.0       2.2
      91.0       1.0
      96.0      11.5
      97.0       5.7
      98.0       3.5
      99.0       7.0
     101.0       3.7
     102.0       5.1
     103.0       4.3
     104.0       1.8
     105.0       5.6
     106.0       1.3
     107.0       1.4
     114.0       1.2
     115.0       3.8
     123.0       2.9
     129.0       1.8
     132.0      89.0
     133.0     100.0
     134.0      34.0
     135.0      38.2
     136.0       2.3
     137.0       2.2
     147.0       3.3
     164.0      32.5
     165.0       4.3
     166.0      10.7
     167.0       1.4

parameter in CDCl3

¹H NMR	300 MHz
C₆ H₉ Cl O₃	0.05 ml : 0.5 ml CDCl₃
methyl (E)-4-chloro-3-methoxy-2-butenoate

    Parameter     ppm  Hz

      D(A)         5.160
      D(B)         4.657
      D(C) *1      3.724
      D(D) *1      3.717

     Hz     ppm     Int.

   1547.99   5.160    323
   1397.10   4.657    646
   1117.19   3.724   1000
   1115.11   3.717   1000

in CDCl3

liquid film

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