2-Thiophenecarboxaldehyde,5-methyl-,oxime(7CI,9CI)(42456-40-6) IR2

Product Name2-Thiophenecarboxaldehyde,5-methyl-,oxime(7CI,9CI)

CAS 42456-40-6

Molecular FormulaC6H7NOS

Molecular Weight141.19

InChIInChI=1S/C6H7NOS/c1-5-2-3-6(9-5)4-7-8/h2-4,8H,1H3

InChIKey XRUDLQMYHUIYOJ-UHFFFAOYSA-N

SmilesC1(C=NO)SC(C)=CC=1

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Mass

MS-KW-0654          
5-methyl-2-thiophenecarbaldehyde oxime
C6H7NOS             (Mass of molecular ion:    141)

   Source Temperature: 130 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      27.0       2.6
      28.0       1.2
      37.0       1.1
      38.0       1.6
      39.0       3.8
      45.0      10.1
      47.0       1.3
      50.0       2.0
      51.0       3.4
      52.0       1.8
      53.0      16.4
      54.0       1.0
      57.0       2.3
      58.0       2.3
      59.0       4.3
      61.0       1.0
      61.5       2.1
      62.0       1.1
      63.0       1.6
      64.0       1.0
      65.0       1.3
      66.0       2.7
      69.0       4.8
      70.0       4.2
      71.0       2.9
      77.0       1.2
      78.0       1.7
      80.0       2.2
      81.0       1.4
      82.0       1.3
      84.0       1.0
      85.0       1.6
      93.0       1.1
      95.0       4.1
      96.0       8.6
      97.0      29.0
      98.0      48.7
      99.0       4.2
     100.0       2.3
     109.0       1.8
     110.0       1.8
     113.0       4.5
     114.0       1.5
     122.0      21.4
     123.0      13.5
     124.0      13.2
     125.0       4.3
     126.0       1.0
     140.0       7.3
     141.0     100.0
     142.0       8.9
     143.0       4.8

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₆ H₇ N O S	0.040 g : 0.5 ml DMSO-d₆
5-methyl-2-thiophenecarbaldehyde oxime

    Assign.     Shift(ppm)

      A            12.9
      B             7.558
      C             6.895
      D             2.496

     Hz     ppm     Int.

   3022.61   7.564    268
   3019.13   7.555    272
   2758.30   6.902    201
   2757.21   6.900    202
   2756.29   6.897    102
   2755.74   6.896     98
   2754.64   6.893    198
   2753.54   6.890    191
    997.89   2.497   1000
    997.34   2.496    961

in DMSO-d6

KBr disc

nujol mull

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