72611-71-3

Thiazole, 5-methyl-2-(2-methylpropyl)-(72611-71-3) IR1

Product NameThiazole, 5-methyl-2-(2-methylpropyl)-

CAS 72611-71-3

Molecular FormulaC8H13NS

Molecular Weight

InChIInChI=1S/C8H13NS/c1-6(2)4-8-9-5-7(3)10-8/h5-6H,4H2,1-3H3

InChIKey SOWKBUUNEGNLMS-UHFFFAOYSA-N

SmilesS1C(C)=CN=C1CC(C)C

Request For Quotation

¹HNMR

¹³CNMR

IR1

Thiazole, 5-methyl-2-(2-methylpropyl)-(72611-71-3) IR1
Mass

MS-NW-7631          
2-isobutyl-5-methylthiazole
C8H13NS             (Mass of molecular ion:    155)

   Source Temperature: 250 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      27.0       5.8
      28.0       1.9
      29.0       2.1
      39.0       8.5
      40.0       1.1
      41.0       8.1
      42.0       3.4
      43.0       9.4
      45.0      10.9
      47.0       1.0
      59.0       1.5
      68.0       6.4
      69.0       1.6
      71.0      16.7
      72.0      20.7
      73.0       7.8
      74.0       1.3
      85.0       1.8
      97.0       1.0
     112.0      16.1
     113.0     100.0
     114.0       7.8
     115.0       4.9
     140.0      13.7
     141.0       1.4
     154.0       4.4
     155.0       5.3
     156.0       1.0

400 MHz in CDCl3

Thiazole, 5-methyl-2-(2-methylpropyl)-(72611-71-3) IR1

¹H NMR	399.65 MHz
C₈ H₁₃ N S	0.05 ml : 0.5 ml CDCl₃
2-isobutyl-5-methylthiazole

    Assign.     Shift(ppm)

      A             6.702
      B             2.831
      C             2.413
      D             2.086
      E             0.980

     Hz     ppm     Int.

   2679.20   6.704    243
   2678.22   6.702    236
   1135.25   2.841    401
   1128.05   2.823    414
    965.21   2.416    745
    964.23   2.413    721
    847.53   2.121     41
    840.70   2.104     76
    833.86   2.087     95
    827.15   2.070     78
    820.31   2.053     41
    813.35   2.036     28
    813.11   2.035     28
    812.38   2.033     26
    394.90   0.989   1000
    388.18   0.972    961

in CDCl3

liquid film

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