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29104-30-1

苯螨特(29104-30-1)红外图谱(IR2)

产品名称:苯螨特

CAS:29104-30-1

分子式:C18H18ClNO5

分子量: 363.79

InChI:InChI=1S/C18H18ClNO5/c1-4-24-20-17(25-18(21)12-8-6-5-7-9-12)15-14(22-2)11-10-13(19)16(15)23-3/h5-11H,4H2,1-3H3/b20-17-

InChIKey: BZMIHNKNQJJVRO-JZJYNLBNSA-N

Smiles:C1(C(OC)=CC=C(Cl)C=1OC)/C(=N/OCC)/OC(=O)C1C=CC=CC=1

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    Mass

    MS2001-00756WA      
    benzomate
    C18H18ClNO5         (Mass of molecular ion:    363)
    

       Source Temperature: 210 °C
       Sample Temperature:  25 °C
       Direct, 70 eV
    

          18.0       3.3
          50.0       1.0
          51.0       4.0
          76.0       1.7
          77.0      24.3
          78.0       1.9
         104.0       1.0
         105.0     100.0
         106.0       7.7
         113.0       1.0
         126.0       1.6
         141.0       3.5
         143.0       1.1
         154.0       2.3
         156.0       1.5
         170.0       1.0
         184.0       7.4
         186.0       2.5
         197.0       2.8
         198.0       1.0
         199.0      90.4
         200.0       8.9
         201.0      28.7
         202.0       2.8
         213.0       1.5
         363.0       1.0
    

in CDCl3

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in CDCl3

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KBr disk

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Nujol

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