2528-00-9

5-氯甲基-2-呋喃甲酸乙酯(2528-00-9)红外图谱(IR1)

产品名称:5-氯甲基-2-呋喃甲酸乙酯

CAS:2528-00-9

分子式:C8H9ClO3

分子量: 188.61

InChI:InChI=1S/C8H9ClO3/c1-2-11-8(10)7-4-3-6(5-9)12-7/h3-4H,2,5H2,1H3

InChIKey: JBACYJRMCXLIQU-UHFFFAOYSA-N

Smiles:O1C(CCl)=CC=C1C(OCC)=O

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9445          
ethyl 5-chloromethyl-2-furoate
C8H9ClO3            (Mass of molecular ion:    188)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      26.0       4.1
      27.0       8.6
      28.0       4.2
      29.0      11.2
      36.0       3.4
      37.0       1.0
      38.0       2.6
      39.0       2.0
      41.0       1.2
      43.0       1.6
      44.0       2.0
      45.0       3.5
      49.0       1.9
      50.0       4.7
      51.0      15.8
      52.0      16.1
      53.0       4.1
      69.0       1.9
      79.0      12.3
      80.0      10.4
      81.0       5.7
      87.0       2.5
      95.0       4.4
      97.0       8.3
     108.0      11.3
     109.0       4.4
     115.0       1.4
     125.0      52.2
     126.0       4.2
     143.0      30.1
     144.0       4.0
     145.0      10.1
     146.0       1.3
     153.0     100.0
     154.0       9.4
     155.0       1.0
     160.0       3.7
     162.0       1.3
     188.0      15.6
     189.0       1.5
     190.0       5.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₉ Cl O₃	0.05 ml : 0.5 ml CDCl₃
ethyl 5-chloromethyl-2-furoate

    Assign.     Shift(ppm)

      A             7.127
      B             6.505
      C             4.615
      D             4.369
      E             1.378

     Hz     ppm     Int.

   2850.34   7.133    307
   2846.80   7.124    303
   2601.56   6.510    287
   2598.02   6.501    273
   1844.36   4.615    844
   1757.08   4.397    201
   1750.00   4.379    549
   1742.80   4.361    553
   1735.72   4.344    201
    558.11   1.397    586
    555.54   1.391     35
    551.03   1.379   1000
    543.82   1.361    563

in CDCl3