6402-36-4

反式-2-十二碳烯二酸(6402-36-4)红外图谱(IR1)

产品名称:反式-2-十二碳烯二酸

CAS:6402-36-4

分子式:C12H20O4

分子量: 228.28

InChI:InChI=1S/C12H20O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h7,9H,1-6,8,10H2,(H,13,14)(H,15,16)/b9-7+

InChIKey: MAZWDMBCPDUFDJ-VQHVLOKHSA-N

Smiles:C(O)(=O)/C=C/CCCCCCCCC(O)=O

IR1

IR2

Mass

MS-NW-2064          
trans-2-dodecenedioic acid
C12H20O4            (Mass of molecular ion:    228)

   Source Temperature: 180 °C
   Sample Temperature: 220 °C
   Direct, 75 eV

      14.0       1.5
      15.0       2.9
      16.0       1.4
      17.0       7.9
      18.0      41.7
      26.0       7.9
      27.0      41.1
      28.0      17.5
      29.0      41.1
      30.0       1.1
      31.0       4.7
      37.0       1.3
      38.0       2.8
      39.0      43.1
      40.0      10.3
      41.0      82.9
      42.0      14.7
      43.0      30.4
      44.0      16.3
      45.0      13.0
      50.0       2.9
      51.0       6.1
      52.0       3.9
      53.0      22.9
      54.0      30.3
      55.0     100.0
      56.0      13.4
      57.0      12.0
      58.0       3.0
      59.0       7.1
      60.0      22.6
      61.0       1.5
      63.0       1.6
      65.0       6.0
      66.0       8.6
      67.0      45.1
      68.0      46.8
      69.0      35.0
      70.0       9.3
      71.0       8.8
      72.0       1.5
      73.0      25.8
      74.0       2.7
      77.0       7.0
      78.0       6.6
      79.0      22.8
      80.0      17.4
      81.0      68.1
      82.0      36.2
      83.0      26.0
      84.0      28.4
      85.0       5.3
      86.0      18.8
      87.0       6.9
      88.0       1.4
      91.0      14.3
      92.0       6.3
      93.0      12.5
      94.0      16.6
      95.0      28.6
      96.0      33.4
      97.0      20.9
      98.0      37.3
      99.0      11.4
     100.0      12.2
     101.0       6.0
     103.0       1.4
     104.0       4.3
     105.0       5.9
     106.0       7.4
     107.0       9.3
     108.0      11.1
     109.0      15.6
     110.0      10.5
     111.0       5.9
     112.0       4.9
     113.0       4.9
     114.0       9.1
     115.0       3.8
     116.0       1.3
     117.0       5.0
     118.0       3.1
     119.0       4.6
     120.0       6.0
     121.0       6.9
     122.0      16.2
     123.0      12.4
     124.0      10.2
     125.0       5.2
     126.0       2.9
     127.0       3.5
     128.0       3.5
     129.0       2.2
     130.0       6.3
     131.0       3.0
     132.0       4.2
     133.0       4.8
     134.0       1.2
     135.0       5.6
     136.0       8.1
     137.0       8.4
     138.0       8.2
     139.0       2.2
     140.0       2.0
     141.0       1.3
     142.0       1.2
     143.0       1.1
     145.0       1.5
     146.0       3.5
     147.0       2.9
     148.0       2.7
     149.0       3.7
     150.0       8.3
     151.0       6.3
     152.0       1.0
     153.0       1.7
     154.0       1.6
     156.0       1.1
     163.0       1.8
     164.0      12.8
     165.0       2.6
     166.0       5.5
     167.0       2.0
     168.0       3.8
     174.0       3.0
     175.0       1.3
     182.0      17.1
     183.0       2.5
     192.0      19.4
     193.0       2.5
     210.0       9.8
     211.0       1.9

KBr disc