2-ACETYL-5-CHLORO-3-METHYLTHIANAPHTHENE(51527-18-5) ¹³C NMR

Product Name2-ACETYL-5-CHLORO-3-METHYLTHIANAPHTHENE

CAS 51527-18-5

Molecular FormulaC11H9ClOS

Molecular Weight224.71

InChIInChI=1S/C11H9ClOS/c1-6-9-5-8(12)3-4-10(9)14-11(6)7(2)13/h3-5H,1-2H3

InChIKey FQFYTUVWAHAYMK-UHFFFAOYSA-N

SmilesC(=O)(C1SC2=CC=C(Cl)C=C2C=1C)C

Request For Quotation

Mass

MS-IW-2761          
2-acetyl-5-chloro-3-methylbenzo(b)thiophene
C11H9ClOS           (Mass of molecular ion:    224)

   Source Temperature: 190 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      31.0       1.0
      39.0       1.2
      43.0      10.4
      45.0       4.9
      50.0       1.2
      51.0       1.9
      62.0       1.2
      63.0       2.2
      69.0       5.0
      70.0       1.0
      72.0       1.1
      72.5       1.9
      73.0       2.7
      74.0       2.3
      75.0       3.4
      86.0       1.0
      87.0       1.7
      90.5       1.5
      93.0       1.7
      99.0       1.1
     101.0       4.3
     102.0       7.4
     103.0       1.0
     104.5       2.0
     112.0       2.0
     113.0       1.5
     115.0       1.5
     136.0       1.5
     137.0       1.8
     145.0      10.2
     146.0       7.9
     147.0       2.6
     149.0       2.7
     179.0       1.7
     180.0       1.0
     181.0      21.2
     182.0       2.7
     183.0       7.7
     209.0     100.0
     210.0      12.0
     211.0      36.7
     212.0       4.4
     213.0       1.7
     224.0      49.2
     225.0       6.6
     226.0      18.5
     227.0       2.4

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₁ H₉ Cl O S	0.039 g : 0.5 ml DMSO-d₆
2-acetyl-5-chloro-3-methylbenzo(b)thiophene

    Assign.     Shift(ppm)

      A             8.04
      B             8.03
      C             7.544
      D             2.667
      E             2.627

     Hz     ppm     Int.

   3213.75   8.042    154
   3211.30   8.036    227
   3202.64   8.014    157
   3202.15   8.013    158
   3020.51   7.558    106
   3018.43   7.553    104
   3011.84   7.537    100
   3009.77   7.532     99
   1066.04   2.668    890
   1052.98   2.635     43
   1050.17   2.628   1000

in DMSO-d6