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Back ChemicalBook Home>CAS DataBase List>22781-23-3More Spectrum> BENDIOCARB(22781-23-3) 13C NMR

BENDIOCARB(22781-23-3) 13C NMR

Product NameBENDIOCARB

CAS22781-23-3

Molecular FormulaC11H13NO4

Molecular Weight223.23

InChIInChI=1S/C11H13NO4/c1-11(2)15-8-6-4-5-7(9(8)16-11)14-10(13)12-3/h4-6H,1-3H3,(H,12,13)

InChIKey XEGGRYVFLWGFHI-UHFFFAOYSA-N

SmilesO1C2=CC=CC(OC(=O)NC)=C2OC1(C)C


  • Mass

    MS2001-00724WA      
    bendiocarb
    C11H13NO4           (Mass of molecular ion:    223)
    

       Source Temperature: 185 °C
       Sample Temperature:  20 °C
       Direct, 70 eV
    

          15.0       2.9
          27.0       1.0
          28.0       3.4
          38.0       1.4
          39.0      10.5
          40.0       1.2
          41.0       4.9
          43.0       5.9
          50.0       3.3
          51.0      13.0
          52.0       5.3
          53.0       4.4
          55.0       2.8
          58.0      20.2
          59.0       1.1
          63.0       1.2
          68.0       2.1
          77.0       1.0
          79.0       7.8
          80.0       3.1
          81.0       1.2
          95.0       1.3
          97.0       4.7
         107.0       7.3
         108.0       5.1
         109.0       1.2
         123.0       6.4
         125.0       7.1
         126.0      35.6
         127.0       2.4
         149.0       1.9
         150.0       1.0
         151.0     100.0
         152.0       8.8
         153.0       1.0
         165.0       4.5
         166.0      50.0
         167.0       5.2
         223.0      18.3
         224.0       2.4
    

in CDCl3



in CDCl3



KBr disk



Nujol



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