DIBENZOYL THIAMINE(299-88-7) MS

Molecular FormulaC26H26N4O4S

Molecular Weight490.58

InChIInChI=1S/C26H26N4O4S/c1-18(30(17-31)16-22-15-28-19(2)29-24(22)27)23(35-26(33)21-11-7-4-8-12-21)13-14-34-25(32)20-9-5-3-6-10-20/h3-12,15,17H,13-14,16H2,1-2H3,(H2,27,28,29)

InChIKey AZJUFRDUYTYIHV-UHFFFAOYSA-N

SmilesC(C1=CN=C(C)N=C1N)N(C=O)C(C)=C(CCOC(C1C=CC=CC=1)=O)SC(C1C=CC=CC=1)=O

Request For Quotation

¹HNMR

IR1

Mass

MS-NW-2447          
dibenzoylthiamine
C26H26N4O4S         (Mass of molecular ion:    490)

   Source Temperature: 270 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      17.0       1.8
      18.0       9.0
      27.0       2.6
      28.0       2.3
      38.0       1.6
      39.0       6.3
      40.0       1.0
      41.0       1.5
      42.0       6.5
      45.0       4.0
      50.0       5.4
      51.0      14.3
      52.0       3.1
      53.0       2.4
      54.0       2.6
      58.0       4.3
      59.0       1.9
      65.0       1.9
      66.0       1.0
      71.0       1.6
      74.0       1.7
      75.0       1.3
      76.0       2.6
      77.0      49.7
      78.0       5.3
      80.0       2.4
      81.0       4.4
      85.0       1.4
      92.0       1.0
      94.0       1.6
      97.0       4.8
      98.0       6.5
      99.0       1.0
     105.0     100.0
     106.0       7.9
     112.0       1.6
     121.0       1.8
     122.0      40.8
     123.0       4.3
     124.0       3.5
     125.0      66.2
     126.0       6.1
     127.0       3.4
     138.0       5.4
     201.0       3.6
     224.0       1.5
     225.0       5.1
     226.0       2.3
     227.0       1.1
     229.0       1.6
     231.0       3.9
     242.0       1.1
     243.0       1.5