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14698-29-4

惡喹酸(14698-29-4)質(zhì)譜(MS)

產(chǎn)品名稱:惡喹酸

CAS:14698-29-4

分子式:C13H11NO5

分子量: 261.23

InChI:InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17)

InChIKey: KYGZCKSPAKDVKC-UHFFFAOYSA-N

Smiles:N1(CC)C2C(=CC3OCOC=3C=2)C(=O)C(C(O)=O)=C1

  • 圖譜
    Mass 

    MS2001-00778WA      
starner
C13H11NO5           (Mass of molecular ion:    261)


       Source Temperature: 200 °C
   Sample Temperature:  30 °C
   Direct, 70 eV


          27.0       1.3
      29.0       1.8
      50.0       1.9
      51.0       1.6
      52.0       1.2
      53.0       3.3
      62.0       2.0
      63.0       2.3
      65.0       1.1
      74.0       1.4
      75.0       3.2
      76.0       3.1
      77.0       2.2
      78.0       1.1
      89.0       1.4
      90.0       1.1
     101.0       2.1
     102.0       2.4
     103.0       3.2
     104.0       2.0
     105.0       1.0
     108.0       1.1
     108.5       2.3
     116.0       2.3
     118.0       1.0
     120.0       3.5
     130.0       2.5
     131.0       2.1
     132.0       1.2
     133.0       5.2
     148.0       1.4
     158.0       1.5
     159.0       1.6
     160.0       3.9
     161.0       2.8
     172.0       1.6
     174.0       8.8
     175.0       1.2
     176.0       1.5
     186.0       1.7
     187.0       1.7
     188.0       4.6
     189.0       7.9
     190.0       1.4
     202.0      32.2
     203.0       4.1
     204.0       1.6
     214.0       1.6
     215.0       2.0
     216.0       5.0
     217.0     100.0
     218.0      13.2
     219.0       1.4
     242.0       1.0
     244.0       1.3
     261.0      25.3
     262.0       3.7

KBr disk

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Nujol

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