6-METHOXY-2-METHYLBENZOTHIAZOLE(2941-72-2) ¹³C NMR

Product Name6-METHOXY-2-METHYLBENZOTHIAZOLE

CAS 2941-72-2

Molecular FormulaC9H9NOS

Molecular Weight179.24

InChIInChI=1S/C9H9NOS/c1-6-10-8-4-3-7(11-2)5-9(8)12-6/h3-5H,1-2H3

InChIKey DYHLJSUORLPGNT-UHFFFAOYSA-N

SmilesS1C2=CC(OC)=CC=C2N=C1C

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Mass

MS-NW-5613          
6-methoxy-2-methylbenzothiazole
C9H9NOS             (Mass of molecular ion:    179)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       1.7
      18.0       1.1
      28.0       1.2
      38.0       1.3
      39.0       2.0
      45.0       6.4
      50.0       1.3
      51.0       3.1
      52.0       1.3
      57.0       1.0
      59.0       2.0
      62.0       2.1
      63.0       6.4
      64.0       1.4
      69.0       8.6
      70.0       1.0
      78.0       1.2
      79.0       1.0
      89.5       1.1
      92.0       1.2
      93.0       2.1
      94.0       1.3
      95.0       9.3
      96.0       2.1
     107.0       1.7
     108.0       1.2
     109.0       3.4
     110.0       2.0
     123.0       3.1
     135.0       1.2
     136.0      28.1
     137.0       2.8
     138.0       1.5
     148.0       1.7
     149.0       1.4
     164.0      65.9
     165.0       7.3
     166.0       3.7
     178.0       1.1
     179.0     100.0
     180.0      11.3
     181.0       5.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₉ N O S	0.04 ml : 0.5 ml CDCl₃
6-methoxy-2-methylbenzothiazole

    Assign.     Shift(ppm)

      A             7.812
      B             7.268
      C             7.033
      D             3.846
      E             2.775
     
     J(A,B)=0.2HZ, J(A,C)=8.9HZ, J(B,C)=2.6HZ

     Hz     ppm     Int.

    704.50   7.867     73
    695.69   7.768     92
    652.38   7.285     66
    649.88   7.257     86
    635.00   7.091    118
    632.44   7.062     92
    626.13   6.992     91
    623.56   6.963     76
    344.50   3.847   1000
    248.63   2.777    691

in CDCl3