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Back ChemicalBook Home>CAS DataBase List>262-20-4More Spectrum> PHENOXATHIIN(262-20-4) 1H NMR

262-20-4

PHENOXATHIIN(262-20-4) 1H NMR

Product NamePHENOXATHIIN

CAS262-20-4

Molecular FormulaC12H8OS

Molecular Weight200.26

InChIInChI=1S/C12H8OS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8H

InChIKey GJSGGHOYGKMUPT-UHFFFAOYSA-N

SmilesC1=C2C(OC3=C(S2)C=CC=C3)=CC=C1

  • PHENOXATHIIN(262-20-4) <sup>1</sup>H NMR
    Mass

    MS-IW-1066          
    phenoxathiin
    C12H8OS             (Mass of molecular ion:    200)
    

       Source Temperature: 200 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          28.0       1.1
          51.0       1.0
          63.0       1.7
          64.0       1.1
          69.0       3.0
          70.0       1.3
          77.0       1.1
          85.0       2.6
          85.5       2.1
          86.0       1.2
          87.0       1.5
          95.0       1.0
         100.0       6.1
         102.0       1.3
         126.0       1.0
         127.0       4.7
         128.0       2.3
         139.0       6.5
         140.0       1.3
         145.0       1.2
         146.0       1.1
         155.0       1.9
         156.0       1.2
         168.0      33.1
         169.0       5.1
         170.0       2.4
         171.0      23.7
         172.0      11.1
         173.0       2.3
         199.0       4.2
         200.0     100.0
         201.0      14.1
         202.0       5.5
    

400 MHz in CDCl3

  • PHENOXATHIIN(262-20-4) <sup>1</sup>H NMR

    1H NMR 399.65 MHz
    C12 H8 O S 0.041 g : 0.5 ml CDCl3
    phenoxathiin
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.10 B 7.07 C 6.99 D 6.98 ASSIGNED BY C-H COSY

         Hz     ppm     Int.
    

       2847.41   7.125    221
       2845.95   7.122    254
       2842.16   7.112     74
       2839.72   7.106    514
       2838.62   7.103    432
       2837.77   7.101    418
       2831.54   7.086    606
       2830.44   7.083    673
       2829.59   7.081    587
       2825.56   7.071    171
       2823.12   7.064    771
       2821.78   7.061    574
       2796.75   6.998    889
       2795.90   6.996   1000
       2794.56   6.993    618
       2789.67   6.981    634
       2788.21   6.977    691
       2786.62   6.973    487
       2782.71   6.963    270
       2781.49   6.960    208
    

in CDCl3

  • PHENOXATHIIN(262-20-4) <sup>1</sup>H NMR

KBr disc

  • PHENOXATHIIN(262-20-4) <sup>1</sup>H NMR

nujol mull

  • PHENOXATHIIN(262-20-4) <sup>1</sup>H NMR

PHENOXATHIIN(262-20-4) 1H NMR Atlas of Related Products

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