丁炔二酸二乙酯(762-21-0)Raman光譜

產(chǎn)品名稱:丁炔二酸二乙酯

CAS:762-21-0

分子式:C8H10O4

分子量: 170.16

InChI:InChI=1S/C8H10O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-4H2,1-2H3

InChIKey: STRNXFOUBFLVIN-UHFFFAOYSA-N

Smiles:C(OCC)(=O)C#CC(OCC)=O

Mass

MS-NW-1162          
diethyl acetylenedicarboxylate
C8H10O4             (Mass of molecular ion:    170)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       5.3
      18.0       2.3
      25.0       1.2
      26.0       4.7
      27.0      28.5
      28.0       6.9
      29.0      55.5
      30.0       2.0
      31.0       3.2
      39.0       1.9
      41.0       1.2
      42.0       2.5
      43.0      10.7
      44.0       1.4
      45.0      19.7
      51.0       1.1
      52.0      11.8
      53.0      93.3
      54.0       5.3
      55.0       2.1
      66.0       1.4
      67.0       1.3
      68.0       3.4
      69.0       6.8
      70.0       4.1
      79.0       1.4
      80.0      18.8
      81.0       5.5
      82.0       4.6
      84.0       1.0
      96.0       2.2
      97.0      11.6
      98.0      47.2
      99.0       3.9
     112.0       1.3
     113.0       5.6
     115.0       4.6
     119.0       1.4
     124.0      15.5
     125.0     100.0
     126.0      15.2
     127.0       1.9
     143.0       2.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₀ O₄	0.04 ml : 0.5 ml CDCl₃
diethyl acetylenedicarboxylate

    Assign.     Shift(ppm)

      A             4.300
      B             1.337

     Hz     ppm     Int.

    396.13   4.424    120
    388.94   4.343    425
    381.75   4.263    447
    374.69   4.184    139
    126.69   1.415    461
    123.88   1.384     28
    119.63   1.336   1000
    117.19   1.309     30
    116.63   1.303     34
    112.38   1.255    407

in CDCl3