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572-30-5

扁蓄苷(572-30-5)红外图谱(IR2)

产品名称:扁蓄苷

CAS:572-30-5

分子式:C20H18O11

分子量: 434.35

InChI:InChI=1/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15-,17+,20?/s3

InChIKey: PZZRDJXEMZMZFD-TTYPJOBMNA-N

Smiles:C1(OC2=C(C(O)=CC(O)=C2)C(=O)C=1OC1OC[C@H](O)[C@H](O)[C@H]1O)C1C=CC(O)=C(O)C=1 |&1:17,19,21,r|

  • 图谱
    Mass

    MS-KW-0676          
    avicularin
    C20H18O11 H2O       (Mass of molecular ion:    434)
    

       Source Temperature: 210 °C
       Sample Temperature: 230 °C
       Direct, 75 eV
    

          15.0       1.4
          17.0       5.6
          18.0      26.7
          19.0       1.7
          26.0       2.5
          27.0       5.0
          28.0      20.4
          29.0       7.6
          30.0       2.1
          31.0       3.7
          38.0       1.4
          39.0       5.7
          40.0       1.7
          41.0       4.3
          42.0       4.0
          43.0       7.9
          44.0       5.6
          45.0       2.6
          50.0       3.1
          51.0       4.4
          52.0       2.5
          53.0       5.2
          54.0       1.8
          55.0       8.6
          56.0       2.2
          57.0      11.3
          58.0       2.3
          60.0       3.1
          61.0       2.5
          62.0       1.4
          63.0       4.1
          64.0       1.0
          65.0       2.4
          66.0       2.4
          67.0       3.0
          68.0       2.2
          69.0      15.6
          70.0       1.3
          71.0       3.2
          72.0       1.2
          73.0       8.3
          74.0       1.8
          75.0       3.0
          76.0       2.4
          77.0       2.7
          78.0       1.6
          79.0       2.0
          81.0       4.8
          84.0       1.4
          85.0       2.8
          86.0       2.3
          87.0       1.8
          91.0       3.7
          92.0       1.5
          93.0       1.7
          94.0       1.1
          95.0       2.0
          96.0       2.8
          97.0       2.8
          98.0       1.3
         100.0       1.4
         101.0       1.0
         103.0       1.8
         104.0       1.0
         105.0       2.3
         107.0       1.3
         108.0       4.1
         109.0       6.7
         110.0       3.2
         111.0       1.7
         113.5       1.0
         114.0       1.3
         115.0       3.7
         119.0       1.3
         121.0       3.3
         122.0       1.7
         123.0       3.0
         124.0       2.3
         126.0       1.4
         128.0      17.4
         128.5       2.7
         133.0       2.5
         136.0       5.2
         137.0      18.3
         138.0       1.7
         142.0       9.4
         142.5       1.7
         143.0       1.1
         150.0       3.2
         151.0       2.9
         152.0       1.3
         153.0      13.6
         154.0       1.4
         161.0       1.5
         171.0       1.6
         174.0       1.3
         189.0       1.1
         193.0       1.9
         199.0       1.0
         200.0       3.0
         203.0       1.2
         204.0       1.3
         217.0       2.8
         218.0       1.2
         227.0       1.3
         228.0       6.8
         229.0       6.8
         245.0       6.9
         246.0       1.3
         256.0       1.2
         257.0       3.7
         273.0       9.6
         274.0       9.2
         275.0       1.4
         285.0       2.3
         301.0      19.5
         302.0     100.0
         303.0      17.4
         304.0       2.7
    

KBr disc

  • 图谱

nujol mull

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