766-40-5

3,4-二氯-5-羟基-5H-呋喃-2-酮(766-40-5)Raman光谱

产品名称:3,4-二氯-5-羟基-5H-呋喃-2-酮

CAS:766-40-5

分子式:C4H2Cl2O3

分子量: 168.96

InChI:InChI=1S/C4H2Cl2O3/c5-1-2(6)4(8)9-3(1)7/h3,7H

InChIKey: ZAKLKBFCSHJIRI-UHFFFAOYSA-N

Smiles:O1C(O)C(Cl)=C(Cl)C1=O

Mass

MS-NW-1862          
(Z)-2,3-dichloro-3-formylacrylic acid
C4H2Cl2O3           (Mass of molecular ion:    168)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      12.0       3.5
      16.0       5.4
      18.0       2.9
      22.0       1.1
      24.0       6.6
      25.0      13.6
      26.0       9.3
      28.0      11.5
      29.0      34.4
      35.0       9.6
      36.0      25.8
      37.0       5.9
      38.0       7.9
      44.0     100.0
      45.0       2.9
      47.0       5.9
      48.0       1.3
      49.0       2.0
      52.0       5.0
      53.0      10.3
      59.0      11.3
      60.0      86.7
      61.0      31.5
      62.0      28.3
      63.0       9.7
      72.0       1.3
      87.0      30.9
      88.0      11.6
      89.0      17.9
      90.0       4.0
      91.0       3.1
      94.0       4.4
      95.0       8.8
      96.0       9.3
      97.0       5.6
      98.0       4.8
     105.0       1.8
     122.0       3.7
     123.0       6.0
     124.0      21.5
     125.0       4.3
     126.0      12.8
     127.0       1.1
     128.0       2.0
     133.0       7.8
     135.0       2.5
     139.0       1.1
     140.0       1.1
     151.0       1.2
     168.0       1.7
     170.0       1.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₄ H₂ Cl₂ O₃	0.038 g : 0.5 ml DMSO-d₆
(Z)-2,3-dichloro-3-formylacrylic acid

    Assign.     Shift(ppm)

      A             8.64
      B             6.241

     Hz     ppm     Int.

   3454.10   8.643    586
   2494.38   6.242   1000

KBr disc

nujol mull

4880 A,200 M,powder

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